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245 results on '"Letrun, Romain"'

1. Observation of Aerosolization-induced Morphological Changes in Viral Capsids

Author

Mall, Abhishek, Munke, Anna, Shen, Zhou, Mazumder, Parichita, Bielecki, Johan, E, Juncheng, Estillore, Armando, Kim, Chan, Letrun, Romain, Lübke, Jannik, Rafie-Zinedine, Safi, Round, Adam, Round, Ekaterina, Rütten, Michael, Samanta, Amit K., Sarma, Abhisakh, Sato, Tokushi, Schulz, Florian, Seuring, Carolin, Wollweber, Tamme, Worbs, Lena, Vagovic, Patrik, Bean, Richard, Mancuso, Adrian P., Loh, Ne-Te Duane, Beck, Tobias, Küpper, Jochen, Maia, Filipe R. N. C., Chapman, Henry N., and Ayyer, Kartik

Subjects
Quantitative Biology - Biomolecules, Electrical Engineering and Systems Science - Image and Video Processing
Abstract

Single-stranded RNA viruses co-assemble their capsid with the genome and variations in capsid structures can have significant functional relevance. In particular, viruses need to respond to a dehydrating environment to prevent genomic degradation and remain active upon rehydration. Theoretical work has predicted low-energy buckling transitions in icosahedral capsids which could protect the virus from further dehydration. However, there has been no direct experimental evidence, nor molecular mechanism, for such behaviour. Here we observe this transition using X-ray single particle imaging of MS2 bacteriophages after aerosolization. Using a combination of machine learning tools, we classify hundreds of thousands of single particle diffraction patterns to learn the structural landscape of the capsid morphology as a function of time spent in the aerosol phase. We found a previously unreported compact conformation as well as intermediate structures which suggest an incoherent buckling transition which does not preserve icosahedral symmetry. Finally, we propose a mechanism of this buckling, where a single 19-residue loop is destabilised, leading to the large observed morphology change. Our results provide experimental evidence for a mechanism by which viral capsids protect themselves from dehydration. In the process, these findings also demonstrate the power of single particle X-ray imaging and machine learning methods in studying biomolecular structural dynamics., Comment: 10 pages, 4 figures plus 9 pages supplementary information

Published
2024

2. Microsecond time-resolved X-ray scattering by utilizing MHz repetition rate at second-generation XFELs

Author

Konold, Patrick E., Monrroy, Leonardo, Bellisario, Alfredo, Filipe, Diogo, Adams, Patrick, Alvarez, Roberto, Bean, Richard, Bielecki, Johan, Bódizs, Szabolcs, Ducrocq, Gabriel, Grubmueller, Helmut, Kirian, Richard A., Kloos, Marco, Koliyadu, Jayanath C. P., Koua, Faisal H. M., Larkiala, Taru, Letrun, Romain, Lindsten, Fredrik, Maihöfer, Michael, Martin, Andrew V., Mészáros, Petra, Mutisya, Jennifer, Nimmrich, Amke, Okamoto, Kenta, Round, Adam, Sato, Tokushi, Valerio, Joana, Westphal, Daniel, Wollter, August, Yenupuri, Tej Varma, You, Tong, Maia, Filipe, and Westenhoff, Sebastian

Published
2024
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3. Development of crystal optics for Multi-Projection X-ray Imaging for synchrotron and XFEL sources

Author

Bellucci, Valerio, Birnsteinova, Sarlota, Sato, Tokushi, Letrun, Romain, Koliyadu, Jayanath C. P., Kim, Chan, Giovanetti, Gabriele, Deiter, Carsten, Samoylova, Liubov, Petrov, Ilia, Morillo, Luis Lopez, Graceffa, Rita, Adriano, Luigi, Huelsen, Helge, Kollmann, Heiko, Calliste, Thu Nhi Tran, Korytar, Dusan, Zaprazny, Zdenko, Mazzolari, Andrea, Romagnoni, Marco, Asimakopoulou, Eleni Myrto, Yao, Zisheng, Zhang, Yuhe, Ulicny, Jozef, Meents, Alke, Chapman, Henry N., Bean, Richard, Mancuso, Adrian, Villanueva-Perez, Pablo, and Vagovic, Patrik

Subjects
Physics - Instrumentation and Detectors, Physics - Optics
Abstract

X-ray Multi-Projection Imaging (XMPI) is an emerging technology that allows for the acquisition of millions of 3D images per second in samples opaque to visible light. This breakthrough capability enables volumetric observation of fast stochastic phenomena, which were inaccessible due to the lack of a volumetric X-ray imaging probe with kHz to MHz repetition rate. These include phenomena of industrial and societal relevance such as fractures in solids, propagation of shock waves, laser-based 3D printing, or even fast processes in the biological domain. Indeed, the speed of traditional tomography is limited by the shear forces caused by rotation, to a maximum of 1000 Hz in state-of-the-art tomography. Moreover, the shear forces can disturb the phenomena in observation, in particular with soft samples or sensitive phenomena such as fluid dynamics. XMPI is based on splitting an X-ray beam to generate multiple simultaneous views of the sample, therefore eliminating the need for rotation. The achievable performances depend on the characteristics of the X-ray source, the detection system, and the X-ray optics used to generate the multiple views. The increase in power density of the X-ray sources around the world now enables 3D imaging with sampling speeds in the kilohertz range at synchrotrons and megahertz range at X-ray Free-Electron Lasers (XFELs). Fast detection systems are already available, and 2D MHz imaging was already demonstrated at synchrotron and XFEL. In this work, we explore the properties of X-ray splitter optics and XMPI schemes that are compatible with synchrotron insertion devices and XFEL X-ray beams. We describe two possible schemes designed to permit large samples and complex sample environments. Then, we present experimental proof of the feasibility of MHz-rate XMPI at the European XFEL., Comment: 47 pages, 17 figures

Published
2024

4. Resolving non-equilibrium shape variations amongst millions of gold nanoparticles

Author

Shen, Zhou, Awel, Salah, Barty, Anton, Bean, Richard, Bielecki, Johan, Bergemann, Martin, Daurer, Benedikt J., Ekeberg, Tomas, Estillore, Armando D., Fangohr, Hans, Giewekemeyer, Klaus, Hunter, Mark S., Karnevskiy, Mikhail, Kirian, Richard A., Kirkwood, Henry, Kim, Yoonhee, Koliyadu, Jayanath, Lange, Holger, Letrun, Romain, Lübke, Jannik, Mall, Abhishek, Michelat, Thomas, Morgan, Andrew J., Roth, Nils, Samanta, Amit K., Sato, Tokushi, Sikorski, Marcin, Schulz, Florian, Vagovic, Patrik, Wollweber, Tamme, Worbs, Lena, Xavier, Paul Lourdu, Maia, Filipe R. N. C., Horke, Daniel A., Küpper, Jochen, Mancuso, Adrian P., Chapman, Henry N., Ayyer, Kartik, and Loh, N. Duane

Subjects
Condensed Matter - Mesoscale and Nanoscale Physics
Abstract

Nanoparticles, exhibiting functionally relevant structural heterogeneity, are at the forefront of cutting-edge research. Now, high-throughput single-particle imaging (SPI) with x-ray free-electron lasers (XFELs) creates unprecedented opportunities for recovering the shape distributions of millions of particles that exhibit functionally relevant structural heterogeneity. To realize this potential, three challenges have to be overcome: (1) simultaneous parametrization of structural variability in real and reciprocal spaces; (2) efficiently inferring the latent parameters of each SPI measurement; (3) scaling up comparisons between $10^5$ structural models and $10^6$ XFEL-SPI measurements. Here, we describe how we overcame these three challenges to resolve the non-equilibrium shape distributions within millions of gold nanoparticles imaged at the European XFEL. These shape distributions allowed us to quantify the degree of asymmetry in these particles, discover a relatively stable `shape envelope' amongst nanoparticles, discern finite-size effects related to shape-controlling surfactants, and extrapolate nanoparticles' shapes to their idealized thermodynamic limit. Ultimately, these demonstrations show that XFEL SPI can help transform nanoparticle shape characterization from anecdotally interesting to statistically meaningful.

Published
2024

5. SARS-CoV-2 Mpro responds to oxidation by forming disulfide and NOS/SONOS bonds

Author

Reinke, Patrick Y. A., Schubert, Robin, Oberthür, Dominik, Galchenkova, Marina, Rahmani Mashhour, Aida, Günther, Sebastian, Chretien, Anaïs, Round, Adam, Seychell, Brandon Charles, Norton-Baker, Brenna, Kim, Chan, Schmidt, Christina, Koua, Faisal H. M., Tolstikova, Alexandra, Ewert, Wiebke, Peña Murillo, Gisel Esperanza, Mills, Grant, Kirkwood, Henry, Brognaro, Hévila, Han, Huijong, Koliyadu, Jayanath, Schulz, Joachim, Bielecki, Johan, Lieske, Julia, Maracke, Julia, Knoska, Juraj, Lorenzen, Kristina, Brings, Lea, Sikorski, Marcin, Kloos, Marco, Vakili, Mohammad, Vagovic, Patrik, Middendorf, Philipp, de Wijn, Raphael, Bean, Richard, Letrun, Romain, Han, Seonghyun, Falke, Sven, Geng, Tian, Sato, Tokushi, Srinivasan, Vasundara, Kim, Yoonhee, Yefanov, Oleksandr M., Gelisio, Luca, Beck, Tobias, Doré, Andrew S., Mancuso, Adrian P., Betzel, Christian, Bajt, Saša, Redecke, Lars, Chapman, Henry N., Meents, Alke, Turk, Dušan, Hinrichs, Winfried, and Lane, Thomas J.

Published
2024
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6. 3D-Printed Sheet Jet for Stable Megahertz Liquid Sample Delivery at X-ray Free Electron Lasers

Author

Konold, Patrick E., You, Tong, Bielecki, Johan, Valerio, Joana, Kloos, Marco, Westphal, Daniel, Bellisario, Alfredo, Varma, Tej, Wolter, August, Koliyadu, Jayanath C. P., Koua, Faisal H. M., Letrun, Romain, Round, Adam, Sato, Tokushi, Mésźaros, Petra, Monrroy, Leonardo, Mutisya, Jennifer, Bódizs, Szabolcs, Larkiala, Taru, Nimmrich, Amke, Alvarez, Roberto, Bean, Richard, Ekeberg, Tomas, Kirian, Richard A., Westenhoff, Sebastian, and Maia, Filipe R. N. C.

Subjects
Physics - Instrumentation and Detectors, Physics - Applied Physics, Physics - Biological Physics
Abstract

X-ray Free Electron Lasers (XFELs) can probe chemical and biological reactions as they unfold with unprecedented spatial and temporal resolution. A principal challenge in this pursuit is the delivery of samples to the X-ray interaction point in a way that produces data of the highest possible quality and efficiency. This is hampered by constraints posed by the light source and operation within a beamline environment. For liquid samples, the solution typically involves a high-speed liquid jet, capable of keeping up with the rate of X-ray pulses. However, conventional jets are not ideal because of radiation-induced explosions of the jet, as well as their cylindrical geometry combined with the X-ray pointing instability of many beamlines causes the interaction volume to differ for every pulse. This complicates data analysis and contributes to measurement errors. An alternative geometry is a liquid sheet jet which, with its constant thickness over large areas, eliminates the X-ray pointing related problems. Since liquid sheets can be made very thin, the radiation-induced explosion is reduced, boosting their stability. They are especially attractive for experiments which benefit from small interaction volumes such as fluctuation X-ray scattering and several types of spectroscopy. Although they have seen increasing use for soft X-ray applications in recent years, there has not yet been wide-scale adoption at XFELs. Here, we demonstrate liquid sheet jet sample injection at the European XFEL. We evaluate several aspects of its performance relative to a conventional liquid jet including thickness profile, stability, and radiation-induced explosion dynamics at high repetition rates. The sheet jet exhibits superior performance across these critical experimental parameters. Its minute thickness also suggests ultrafast single-particle solution scattering is a possibility.

Published
2023
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7. Megahertz X-ray Multi-projection imaging

Author

Villanueva-Perez, Pablo, Bellucci, Valerio, Zhang, Yuhe, Birnsteinova, Sarlota, Graceffa, Rita, Adriano, Luigi, Asimakopoulou, Eleni Myrto, Petrov, Ilia, Yao, Zisheng, Romagnoni, Marco, Mazzolari, Andrea, Letrun, Romain, Kim, Chan, Koliyadu, Jayanath C. P., Deiter, Carsten, Bean, Richard, Giovanetti, Gabriele, Gelisio, Luca, Ritschel, Tobias, Mancuso, Adrian, Chapman, Henry N., Meents, Alke, Sato, Tokushi, and Vagovic, Patrik

Subjects
Electrical Engineering and Systems Science - Image and Video Processing, Physics - Optics
Abstract

X-ray time-resolved tomography is one of the most popular X-ray techniques to probe dynamics in three dimensions (3D). Recent developments in time-resolved tomography opened the possibility of recording kilohertz-rate 3D movies. However, tomography requires rotating the sample with respect to the X-ray beam, which prevents characterization of faster structural dynamics. Here, we present megahertz (MHz) X-ray multi-projection imaging (MHz-XMPI), a technique capable of recording volumetric information at MHz rates and micrometer resolution without scanning the sample. We achieved this by harnessing the unique megahertz pulse structure and intensity of the European X-ray Free-electron Laser with a combination of novel detection and reconstruction approaches that do not require sample rotations. Our approach enables generating multiple X-ray probes that simultaneously record several angular projections for each pulse in the megahertz pulse burst. We provide a proof-of-concept demonstration of the MHz-XMPI technique's capability to probe 4D (3D+time) information on stochastic phenomena and non-reproducible processes three orders of magnitude faster than state-of-the-art time-resolved X-ray tomography, by generating 3D movies of binary droplet collisions. We anticipate that MHz-XMPI will enable in-situ and operando studies that were impossible before, either due to the lack of temporal resolution or because the systems were opaque (such as for MHz imaging based on optical microscopy).

Published
2023

8. Absolute spectral metrology of XFEL pulses using diffraction in crystals

Author

Petrov, Ilia, Samoylova, Liubov, Birnsteinova, Sarlota, Bellucci, Valerio, Makita, Mikako, Sato, Tokushi, Letrun, Romain, Koliyadu, Jayanath, de Wijn, Raphael, Mazzolari, Andrea, Romagnoni, Marco, Bean, Richard, Mancuso, Adrian, Meents, Alke, Chapman, Henry N., and Vagovic, Patrik

Subjects
Physics - Instrumentation and Detectors
Abstract

At modern X-ray sources, such as synchrotrons and X-ray Free-Electron Lasers (XFELs), it is important to measure the absolute value of the photon energy directly. Here, a method for absolute spectral metrology is presented. A photon energy estimation method based on the spectral measurements and rocking of diffracting crystals is presented. The photon energy of SASE1 channel of the European XFEL was measured, and the benefits and applications of the precise photon energy evaluation are discussed.

Published
2023

9. Unsupervised learning approaches to characterize heterogeneous samples using X-ray single particle imaging

Author

Zhuang, Yulong, Awel, Salah, Barty, Anton, Bean, Richard, Bielecki, Johan, Bergemann, Martin, Daurer, Benedikt J., Ekeberg, Tomas, Estillore, Armando D., Fangohr, Hans, Giewekemeyer, Klaus, Hunter, Mark S., Karnevskiy, Mikhail, Kirian, Richard A., Kirkwood, Henry, Kim, Yoonhee, Koliyadu, Jayanath, Lange, Holger, Letrun, Romain, Lübke, Jannik, Mall, Abhishek, Michelat, Thomas, Morgan, Andrew J., Roth, Nils, Samanta, Amit K., Sato, Tokushi, Shen, Zhou, Sikorski, Marcin, Schulz, Florian, Spence, John C. H., Vagovic, Patrik, Wollweber, Tamme, Worbs, Lena, Xavier, P. Lourdu, Yefanov, Oleksandr, Maia, Filipe R. N. C., Horke, Daniel A., Küpper, Jochen, Loh, N. Duane, Mancuso, Adrian P., Chapman, Henry N., and Ayyer, Kartik

Subjects
Electrical Engineering and Systems Science - Image and Video Processing, Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Data Analysis, Statistics and Probability
Abstract

One of the outstanding analytical problems in X-ray single particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. We propose two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA) provides a rough classification which is essentially parameter-free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs) can generate 3D structures of the objects at any point in the structural landscape. We implement both these methods in combination with the noise-tolerant expand-maximize-compress (EMC) algorithm and demonstrate its utility by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern and recover both discrete structural classes as well as continuous deformations. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility to move beyond studying homogeneous sample sets and study open questions on topics such as nanocrystal growth and dynamics as well as phase transitions which have not been externally triggered., Comment: 29 pages, 9 figures

Published
2021

10. Co-flow injection for serial crystallography at X-ray free-electron lasers.

Author

Doppler, Diandra, Rabbani, Mohammad, Letrun, Romain, Cruz Villarreal, Jorvani, Kim, Dai, Gandhi, Sahir, Egatz-Gomez, Ana, Sonker, Mukul, Chen, Joe, Koua, Faisal, Yang, Jayhow, Youssef, Mohamed, Mazalova, Victoria, Bajt, Saša, Shelby, Megan, Coleman, Matt, Wiedorn, Max, Knoska, Juraj, Schön, Silvan, Sato, Tokushi, Hunter, Mark, Hosseinizadeh, Ahmad, Kuptiz, Christopher, Nazari, Reza, Alvarez, Roberto, Karpos, Konstantinos, Zaare, Sahba, Dobson, Zachary, Discianno, Erin, Zhang, Shangji, Zook, James, Bielecki, Johan, de Wijn, Raphael, Round, Adam, Vagovic, Patrik, Kloos, Marco, Vakili, Mohammad, Ketawala, Gihan, Stander, Natasha, Olson, Tien, Morin, Katherine, Mondal, Jyotirmory, Nguyen, Jonathan, Meza-Aguilar, José, Kodis, Gerdenis, Vaiana, Sara, Martin-Garcia, Jose, Mariani, Valerio, Schwander, Peter, Schmidt, Marius, Messerschmidt, Marc, Ourmazd, Abbas, Zatsepin, Nadia, Weierstall, Uwe, Bruce, Barry, Mancuso, Adrian, Grant, Thomas, Barty, Anton, Chapman, Henry, Fromme, Raimund, Spence, John, Botha, Sabine, Fromme, Petra, Kirian, Richard, Ros, Alexandra, and Frank, Matthias

Subjects
3D printing, X-ray free-electron lasers, XFELs, microfluidic devices, sample consumption, serial crystallography, viscous media
Abstract

Serial femtosecond crystallography (SFX) is a powerful technique that exploits X-ray free-electron lasers to determine the structure of macro-molecules at room temperature. Despite the impressive exposition of structural details with this novel crystallographic approach, the methods currently available to introduce crystals into the path of the X-ray beam sometimes exhibit serious drawbacks. Samples requiring liquid injection of crystal slurries consume large quantities of crystals (at times up to a gram of protein per data set), may not be compatible with vacuum configurations on beamlines or provide a high background due to additional sheathing liquids present during the injection. Proposed and characterized here is the use of an immiscible inert oil phase to supplement the flow of sample in a hybrid microfluidic 3D-printed co-flow device. Co-flow generation is reported with sample and oil phases flowing in parallel, resulting in stable injection conditions for two different resin materials experimentally. A numerical model is presented that adequately predicts these flow-rate conditions. The co-flow generating devices reduce crystal clogging effects, have the potential to conserve protein crystal samples up to 95% and will allow degradation-free light-induced time-resolved SFX.

Published
2022

11. Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers

Author

Holmes, Susannah, Kirkwood, Henry J, Bean, Richard, Giewekemeyer, Klaus, Martin, Andrew V, Hadian-Jazi, Marjan, Wiedorn, Max O, Oberthür, Dominik, Marman, Hugh, Adriano, Luigi, Al-Qudami, Nasser, Bajt, Saša, Barák, Imrich, Bari, Sadia, Bielecki, Johan, Brockhauser, Sandor, Coleman, Mathew A, Cruz-Mazo, Francisco, Danilevski, Cyril, Dörner, Katerina, Gañán-Calvo, Alfonso M, Graceffa, Rita, Fanghor, Hans, Heymann, Michael, Frank, Matthias, Kaukher, Alexander, Kim, Yoonhee, Kobe, Bostjan, Knoška, Juraj, Laurus, Torsten, Letrun, Romain, Maia, Luis, Messerschmidt, Marc, Metz, Markus, Michelat, Thomas, Mills, Grant, Molodtsov, Serguei, Monteiro, Diana CF, Morgan, Andrew J, Münnich, Astrid, Peña Murillo, Gisel E, Previtali, Gianpietro, Round, Adam, Sato, Tokushi, Schubert, Robin, Schulz, Joachim, Shelby, Megan, Seuring, Carolin, Sellberg, Jonas A, Sikorski, Marcin, Silenzi, Alessandro, Stern, Stephan, Sztuk-Dambietz, Jola, Szuba, Janusz, Trebbin, Martin, Vagovic, Patrick, Ve, Thomas, Weinhausen, Britta, Wrona, Krzysztof, Xavier, Paul Lourdu, Xu, Chen, Yefanov, Oleksandr, Nugent, Keith A, Chapman, Henry N, Mancuso, Adrian P, Barty, Anton, Abbey, Brian, and Darmanin, Connie

Subjects
Inorganic Chemistry, Chemical Sciences, Physical Sciences, Biological Sciences, Crystallography, X-Ray, Electrons, Lasers, Radiography, X-Rays
Abstract

The European X-ray Free Electron Laser (XFEL) and Linac Coherent Light Source (LCLS) II are extremely intense sources of X-rays capable of generating Serial Femtosecond Crystallography (SFX) data at megahertz (MHz) repetition rates. Previous work has shown that it is possible to use consecutive X-ray pulses to collect diffraction patterns from individual crystals. Here, we exploit the MHz pulse structure of the European XFEL to obtain two complete datasets from the same lysozyme crystal, first hit and the second hit, before it exits the beam. The two datasets, separated by

Published
2022

12. De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals

Author

Tetreau, Guillaume, Sawaya, Michael R, De Zitter, Elke, Andreeva, Elena A, Banneville, Anne-Sophie, Schibrowsky, Natalie A, Coquelle, Nicolas, Brewster, Aaron S, Grünbein, Marie Luise, Kovacs, Gabriela Nass, Hunter, Mark S, Kloos, Marco, Sierra, Raymond G, Schiro, Giorgio, Qiao, Pei, Stricker, Myriam, Bideshi, Dennis, Young, Iris D, Zala, Ninon, Engilberge, Sylvain, Gorel, Alexander, Signor, Luca, Teulon, Jean-Marie, Hilpert, Mario, Foucar, Lutz, Bielecki, Johan, Bean, Richard, de Wijn, Raphael, Sato, Tokushi, Kirkwood, Henry, Letrun, Romain, Batyuk, Alexander, Snigireva, Irina, Fenel, Daphna, Schubert, Robin, Canfield, Ethan J, Alba, Mario M, Laporte, Frédéric, Després, Laurence, Bacia, Maria, Roux, Amandine, Chapelle, Christian, Riobé, François, Maury, Olivier, Ling, Wai Li, Boutet, Sébastien, Mancuso, Adrian, Gutsche, Irina, Girard, Eric, Barends, Thomas RM, Pellequer, Jean-Luc, Park, Hyun-Woo, Laganowsky, Arthur D, Rodriguez, Jose, Burghammer, Manfred, Shoeman, Robert L, Doak, R Bruce, Weik, Martin, Sauter, Nicholas K, Federici, Brian, Cascio, Duilio, Schlichting, Ilme, and Colletier, Jacques-Philippe

Subjects
Inorganic Chemistry, Biochemistry and Cell Biology, Chemical Sciences, Biological Sciences, Animals, Bacillus thuringiensis, Bacterial Proteins, Endotoxins, Hemolysin Proteins, Larva, Mosquito Control, Nanoparticles
Abstract

Cry11Aa and Cry11Ba are the two most potent toxins produced by mosquitocidal Bacillus thuringiensis subsp. israelensis and jegathesan, respectively. The toxins naturally crystallize within the host; however, the crystals are too small for structure determination at synchrotron sources. Therefore, we applied serial femtosecond crystallography at X-ray free electron lasers to in vivo-grown nanocrystals of these toxins. The structure of Cry11Aa was determined de novo using the single-wavelength anomalous dispersion method, which in turn enabled the determination of the Cry11Ba structure by molecular replacement. The two structures reveal a new pattern for in vivo crystallization of Cry toxins, whereby each of their three domains packs with a symmetrically identical domain, and a cleavable crystal packing motif is located within the protoxin rather than at the termini. The diversity of in vivo crystallization patterns suggests explanations for their varied levels of toxicity and rational approaches to improve these toxins for mosquito control.

Published
2022

13. Light-induced Trpin/Metout Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC

Author

Chretien, Anaïs, Nagel, Marius F., Botha, Sabine, de Wijn, Raphaël, Brings, Lea, Dörner, Katerina, Han, Huijong, Koliyadu, Jayanath C.P., Letrun, Romain, Round, Adam, Sato, Tokushi, Schmidt, Christina, Secareanu, Radu-Costin, von Stetten, David, Vakili, Mohammad, Wrona, Agnieszka, Bean, Richard, Mancuso, Adrian, Schulz, Joachim, Pearson, Arwen R., Kottke, Tilman, Lorenzen, Kristina, and Schubert, Robin

Published
2024
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14. Form factor determination of biological molecules with X-ray free electron laser small-angle scattering (XFEL-SAS)

Author

Blanchet, Clement E., Round, Adam, Mertens, Haydyn D. T., Ayyer, Kartik, Graewert, Melissa, Awel, Salah, Franke, Daniel, Dörner, Katerina, Bajt, Saša, Bean, Richard, Custódio, Tânia F., de Wijn, Raphael, Juncheng, E., Henkel, Alessandra, Gruzinov, Andrey, Jeffries, Cy M., Kim, Yoonhee, Kirkwood, Henry, Kloos, Marco, Knoška, Juraj, Koliyadu, Jayanath, Letrun, Romain, Löw, Christian, Makroczyova, Jana, Mall, Abhishek, Meijers, Rob, Pena Murillo, Gisel Esperanza, Oberthür, Dominik, Round, Ekaterina, Seuring, Carolin, Sikorski, Marcin, Vagovic, Patrik, Valerio, Joana, Wollweber, Tamme, Zhuang, Yulong, Schulz, Joachim, Haas, Heinrich, Chapman, Henry N., Mancuso, Adrian P., and Svergun, Dmitri

Published
2023
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15. Integration and first operation of the Gotthard-II detector at European XFEL

Author

Ramilli, Marco, Ahmed, Karim, de Wijn, Raphael, Dietze, Thomas, Fernandes, Bruno, Hammer, David, Jiang, Yifeng, Khakhulin, Dmitry, Koliyadu, Jayanath C.P., Letrun, Romain, Liu, Jia, Lopez-Cuenca, Carlos, Mezza, Davide, Milne, Christopher, Mozzanica, Aldo, Parenti, Andrea, Sato, Tokushi, Schmidt, Philipp, Schmitt, Bernd, Sikorski, Marcin, Turcato, Monica, Uemura, Yohei, Wang, Hao, Yousef, Hazem, and Zhang, Jiaguo

Published
2024
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16. Revealing the origins of vortex cavitation in a Venturi tube by high speed X-ray imaging

Author

Soyama, Hitoshi, Liang, Xiaoyu, Yashiro, Wataru, Kajiwara, Kentaro, Asimakopoulou, Eleni Myrto, Bellucci, Valerio, Birnsteinova, Sarlota, Giovanetti, Gabriele, Kim, Chan, Kirkwood, Henry J., Koliyadu, Jayanath C.P., Letrun, Romain, Zhang, Yuhe, Uličný, Jozef, Bean, Richard, Mancuso, Adrian P., Villanueva-Perez, Pablo, Sato, Tokushi, Vagovič, Patrik, Eakins, Daniel, and Korsunsky, Alexander M.

Published
2023
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17. De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals

Author

Tetreau, Guillaume, Sawaya, Michael R, De Zitter, Elke, Andreeva, Elena A, Banneville, Anne-Sophie, Schibrowsky, Natalie, Coquelle, Nicolas, Brewster, Aaron S, Grünbein, Marie Luise, Kovacs, Gabriela Nass, Hunter, Mark S, Kloos, Marco, Sierra, Raymond G, Schiro, Giorgio, Qiao, Pei, Stricker, Myriam, Bideshi, Dennis, Young, Iris D, Zala, Ninon, Engilberge, Sylvain, Gorel, Alexander, Signor, Luca, Teulon, Jean-Marie, Hilpert, Mario, Foucar, Lutz, Bielecki, Johan, Bean, Richard, de Wijn, Raphael, Sato, Tokushi, Kirkwood, Henry, Letrun, Romain, Batyuk, Alexander, Snigireva, Irina, Fenel, Daphna, Schubert, Robin, Canfield, Ethan J, Alba, Mario M, Laporte, Frédéric, Després, Laurence, Bacia, Maria, Roux, Amandine, Chapelle, Christian, Riobé, François, Maury, Olivier, Ling, Wai Li, Boutet, Sébastien, Mancuso, Adrian, Gutsche, Irina, Girard, Eric, Barends, Thomas RM, Pellequer, Jean-Luc, Park, Hyun-Woo, Laganowsky, Arthur D, Rodriguez, Jose, Burghammer, Manfred, Shoeman, Robert L, Doak, R Bruce, Weik, Martin, Sauter, Nicholas K, Federici, Brian, Cascio, Duilio, Schlichting, Ilme, and Colletier, Jacques-Philippe

Subjects
Inorganic Chemistry, Biochemistry and Cell Biology, Chemical Sciences, Biological Sciences
Abstract

Cry11Aa and Cry11Ba are the two most potent toxins produced by mosquitocidal Bacillus thuringiensis subsp. israelensis and jegathesan , respectively. The toxins naturally crystallize within the host; however, the crystals are too small for structure determination at synchrotron sources. Therefore, we applied serial femtosecond crystallography at X-ray free electron lasers to in vivo -grown nanocrystals of these toxins. The structure of Cry11Aa was determined de novo using the single-wavelength anomalous dispersion method, which in turn enabled the determination of the Cry11Ba structure by molecular replacement. The two structures reveal a new pattern for in vivo crystallization of Cry toxins, whereby each of their three domains packs with a symmetrically identical domain, and a cleavable crystal packing motif is located within the protoxin rather than at the termini. The diversity of in vivo crystallization patterns suggests explanations for their varied levels of toxicity and rational approaches to improve these toxins for mosquito control.

Published
2021

18. Megahertz single-particle imaging at the European XFEL

Author

Sobolev, Egor, Zolotarev, Serguey, Giewekemeyer, Klaus, Bielecki, Johan, Okamoto, Kenta, Reddy, Hemanth K. N., Andreasson, Jakob, Ayyer, Kartik, Barak, Imrich, Bari, Sadia, Barty, Anton, Bean, Richard, Bobkov, Sergey, Chapman, Henry N., Chojnowski, Grzegorz, Daurer, Benedikt J., Dörner, Katerina, Ekeberg, Tomas, Flückiger, Leonie, Galzitskaya, Oxana, Gelisio, Luca, Hauf, Steffen, Hogue, Brenda G., Horke, Daniel A., Hosseinizadeh, Ahmad, Ilyin, Vyacheslav, Jung, Chulho, Kim, Chan, Kim, Yoonhee, Kirian, Richard A., Kirkwood, Henry, Kulyk, Olena, Letrun, Romain, Loh, Duane, Messerschmidt, Marc, Mühlig, Kerstin, Ourmazd, Abbas, Raab, Natascha, Rode, Andrei V., Rose, Max, Round, Adam, Sato, Takushi, Schubert, Robin, Schwander, Peter, Sellberg, Jonas A., Sikorski, Marcin, Silenzi, Alessandro, Song, Changyong, Spence, John C. H., Stern, Stephan, Sztuk-Dambietz, Jolanta, Teslyuk, Anthon, Timneanu, Nicusor, Trebbin, Martin, Uetrecht, Charlotte, Weinhausen, Britta, Williams, Garth J., Xavier, P Lourdu, Xu, Chen, Vartanyants, Ivan, Lamzin, Victor, Mancuso, Adrian, and Maia, Filipe R. N. C.

Subjects
Physics - Instrumentation and Detectors, Physics - Biological Physics
Abstract

The emergence of high repetition-rate X-ray free-electron lasers (XFELs) powered by superconducting accelerator technology enables the measurement of significantly more experimental data per day than was previously possible. The European XFEL will soon provide 27,000 pulses per second, more than two orders of magnitude more than any other XFEL. The increased pulse rate is a key enabling factor for single-particle X-ray diffractive imaging, which relies on averaging the weak diffraction signal from single biological particles. Taking full advantage of this new capability requires that all experimental steps, from sample preparation and delivery to the acquisition of diffraction patterns, are compatible with the increased pulse repetition rate. Here, we show that single-particle imaging can be performed using X-ray pulses at megahertz repetition rates. The obtained results pave the way towards exploiting high repetition-rate X-ray free-electron lasers for single-particle imaging at their full repetition rate.

Published
2019
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19. Megahertz X-ray microscopy at X-ray Free-Electron Laser and Synchrotron sources

Author

Vagovič, Patrik, Sato, Tokushi, Mikeš, Ladislav, Mills, Grant, Graceffa, Rita, Mattsson, Frans, Villanueva-Perez, Pablo, Ershov, Alexey, Faragó, Tomáš, Uličný, Jozef, Kirkwood, Henry, Letrun, Romain, Mokso, Rajmund, Zdora, Marie-Christine, Olbinado, Margie P., Rack, Alexander, Baumbach, Tilo, Meents, Alke, Chapman, Henry N., and Mancuso, Adrian P.

Subjects
Physics - Instrumentation and Detectors
Abstract

We demonstrate X-ray phase contrast microscopy performed at the European X-ray Free-Electron Laser sampled at 1.128 MHz rate. We have applied this method to image stochastic processes induced by an optical laser incident on water-filled capillaries with micrometer scale spatial resolution. The generated high speed water jet, cavitation formation and annihilation in water and glass, as well as glass explosions are observed. The comparison between XFEL and previous synchrotron MHz microscopy shows the superior contrast and spatial resolution at the XFEL over the synchrotron. This work opens up new possibilities for the characterization of dynamic stochastic systems on nanosecond to microsecond time scales at megahertz rate with object velocities up to few kilometers per second using X-ray Free-Electron Laser sources., Comment: First MHz-rate microscopy at European XFEL

Published
2019

20. Megahertz single-particle imaging at the European XFEL

Author

Sobolev, Egor, Zolotarev, Sergei, Giewekemeyer, Klaus, Bielecki, Johan, Okamoto, Kenta, Reddy, Hemanth KN, Andreasson, Jakob, Ayyer, Kartik, Barak, Imrich, Bari, Sadia, Barty, Anton, Bean, Richard, Bobkov, Sergey, Chapman, Henry N, Chojnowski, Grzegorz, Daurer, Benedikt J, Dörner, Katerina, Ekeberg, Tomas, Flückiger, Leonie, Galzitskaya, Oxana, Gelisio, Luca, Hauf, Steffen, Hogue, Brenda G, Horke, Daniel A, Hosseinizadeh, Ahmad, Ilyin, Vyacheslav, Jung, Chulho, Kim, Chan, Kim, Yoonhee, Kirian, Richard A, Kirkwood, Henry, Kulyk, Olena, Küpper, Jochen, Letrun, Romain, Loh, N Duane, Lorenzen, Kristina, Messerschmidt, Marc, Mühlig, Kerstin, Ourmazd, Abbas, Raab, Natascha, Rode, Andrei V, Rose, Max, Round, Adam, Sato, Takushi, Schubert, Robin, Schwander, Peter, Sellberg, Jonas A, Sikorski, Marcin, Silenzi, Alessandro, Song, Changyong, Spence, John CH, Stern, Stephan, Sztuk-Dambietz, Jolanta, Teslyuk, Anthon, Timneanu, Nicusor, Trebbin, Martin, Uetrecht, Charlotte, Weinhausen, Britta, Williams, Garth J, Xavier, P Lourdu, Xu, Chen, Vartanyants, Ivan A, Lamzin, Victor S, Mancuso, Adrian, and Maia, Filipe RNC

Abstract

The emergence of high repetition-rate X-ray free-electron lasers (XFELs) powered by superconducting accelerator technology enables the measurement of significantly more experimental data per day than was previously possible. The European XFEL is expected to provide 27,000 pulses per second, over two orders of magnitude more than any other XFEL. The increased pulse rate is a key enabling factor for single-particle X-ray diffractive imaging, which relies on averaging the weak diffraction signal from single biological particles. Taking full advantage of this new capability requires that all experimental steps, from sample preparation and delivery to the acquisition of diffraction patterns, are compatible with the increased pulse repetition rate. Here, we show that single-particle imaging can be performed using X-ray pulses at megahertz repetition rates. The results obtained pave the way towards exploiting high repetition-rate X-ray free-electron lasers for single-particle imaging at their full repetition rate.

Published
2020

21. Time-resolved serial femtosecond crystallography at the European XFEL

Author

Pandey, Suraj, Bean, Richard, Sato, Tokushi, Poudyal, Ishwor, Bielecki, Johan, Cruz Villarreal, Jorvani, Yefanov, Oleksandr, Mariani, Valerio, White, Thomas A, Kupitz, Christopher, Hunter, Mark, Abdellatif, Mohamed H, Bajt, Saša, Bondar, Valerii, Echelmeier, Austin, Doppler, Diandra, Emons, Moritz, Frank, Matthias, Fromme, Raimund, Gevorkov, Yaroslav, Giovanetti, Gabriele, Jiang, Man, Kim, Daihyun, Kim, Yoonhee, Kirkwood, Henry, Klimovskaia, Anna, Knoska, Juraj, Koua, Faisal HM, Letrun, Romain, Lisova, Stella, Maia, Luis, Mazalova, Victoria, Meza, Domingo, Michelat, Thomas, Ourmazd, Abbas, Palmer, Guido, Ramilli, Marco, Schubert, Robin, Schwander, Peter, Silenzi, Alessandro, Sztuk-Dambietz, Jolanta, Tolstikova, Alexandra, Chapman, Henry N, Ros, Alexandra, Barty, Anton, Fromme, Petra, Mancuso, Adrian P, and Schmidt, Marius

Subjects
Biochemistry and Cell Biology, Biological Sciences, Bacterial Proteins, Crystallography, X-Ray, Light, Models, Molecular, Photoreceptors, Microbial, Protein Conformation, Time Factors, Technology, Medical and Health Sciences, Developmental Biology, Biological sciences
Abstract

The European XFEL (EuXFEL) is a 3.4-km long X-ray source, which produces femtosecond, ultrabrilliant and spatially coherent X-ray pulses at megahertz (MHz) repetition rates. This X-ray source has been designed to enable the observation of ultrafast processes with near-atomic spatial resolution. Time-resolved crystallographic investigations on biological macromolecules belong to an important class of experiments that explore fundamental and functional structural displacements in these molecules. Due to the unusual MHz X-ray pulse structure at the EuXFEL, these experiments are challenging. Here, we demonstrate how a biological reaction can be followed on ultrafast timescales at the EuXFEL. We investigate the picosecond time range in the photocycle of photoactive yellow protein (PYP) with MHz X-ray pulse rates. We show that difference electron density maps of excellent quality can be obtained. The results connect the previously explored femtosecond PYP dynamics to timescales accessible at synchrotrons. This opens the door to a wide range of time-resolved studies at the EuXFEL.

Published
2020

22. Author Correction: Membrane protein megahertz crystallography at the European XFEL

Author

Gisriel, Chris, Coe, Jesse, Letrun, Romain, Yefanov, Oleksandr M, Luna-Chavez, Cesar, Stander, Natasha E, Lisova, Stella, Mariani, Valerio, Kuhn, Manuela, Aplin, Steve, Grant, Thomas D, Dörner, Katerina, Sato, Tokushi, Echelmeier, Austin, Villarreal, Jorvani Cruz, Hunter, Mark S, Wiedorn, Max O, Knoska, Juraj, Mazalova, Victoria, Roy-Chowdhury, Shatabdi, Yang, Jay-How, Jones, Alex, Bean, Richard, Bielecki, Johan, Kim, Yoonhee, Mills, Grant, Weinhausen, Britta, Meza, Jose D, Al-Qudami, Nasser, Bajt, Saša, Brehm, Gerrit, Botha, Sabine, Boukhelef, Djelloul, Brockhauser, Sandor, Bruce, Barry D, Coleman, Matthew A, Danilevski, Cyril, Discianno, Erin, Dobson, Zachary, Fangohr, Hans, Martin-Garcia, Jose M, Gevorkov, Yaroslav, Hauf, Steffen, Hosseinizadeh, Ahmad, Januschek, Friederike, Ketawala, Gihan K, Kupitz, Christopher, Maia, Luis, Manetti, Maurizio, Messerschmidt, Marc, Michelat, Thomas, Mondal, Jyotirmoy, Ourmazd, Abbas, Previtali, Gianpietro, Sarrou, Iosifina, Schön, Silvan, Schwander, Peter, Shelby, Megan L, Silenzi, Alessandro, Sztuk-Dambietz, Jolanta, Szuba, Janusz, Turcato, Monica, White, Thomas A, Wrona, Krzysztof, Xu, Chen, Abdellatif, Mohamed H, Zook, James D, Spence, John CH, Chapman, Henry N, Barty, Anton, Kirian, Richard A, Frank, Matthias, Ros, Alexandra, Schmidt, Marius, Fromme, Raimund, Mancuso, Adrian P, Fromme, Petra, and Zatsepin, Nadia A

Subjects
Biochemistry and Cell Biology, Biological Sciences
Abstract

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

Published
2020

23. Membrane protein megahertz crystallography at the European XFEL

Author

Gisriel, Chris, Coe, Jesse, Letrun, Romain, Yefanov, Oleksandr M, Luna-Chavez, Cesar, Stander, Natasha E, Lisova, Stella, Mariani, Valerio, Kuhn, Manuela, Aplin, Steve, Grant, Thomas D, Dörner, Katerina, Sato, Tokushi, Echelmeier, Austin, Cruz Villarreal, Jorvani, Hunter, Mark S, Wiedorn, Max O, Knoska, Juraj, Mazalova, Victoria, Roy-Chowdhury, Shatabdi, Yang, Jay-How, Jones, Alex, Bean, Richard, Bielecki, Johan, Kim, Yoonhee, Mills, Grant, Weinhausen, Britta, Meza, Jose D, Al-Qudami, Nasser, Bajt, Saša, Brehm, Gerrit, Botha, Sabine, Boukhelef, Djelloul, Brockhauser, Sandor, Bruce, Barry D, Coleman, Matthew A, Danilevski, Cyril, Discianno, Erin, Dobson, Zachary, Fangohr, Hans, Martin-Garcia, Jose M, Gevorkov, Yaroslav, Hauf, Steffen, Hosseinizadeh, Ahmad, Januschek, Friederike, Ketawala, Gihan K, Kupitz, Christopher, Maia, Luis, Manetti, Maurizio, Messerschmidt, Marc, Michelat, Thomas, Mondal, Jyotirmoy, Ourmazd, Abbas, Previtali, Gianpietro, Sarrou, Iosifina, Schön, Silvan, Schwander, Peter, Shelby, Megan L, Silenzi, Alessandro, Sztuk-Dambietz, Jolanta, Szuba, Janusz, Turcato, Monica, White, Thomas A, Wrona, Krzysztof, Xu, Chen, Abdellatif, Mohamed H, Zook, James D, Spence, John CH, Chapman, Henry N, Barty, Anton, Kirian, Richard A, Frank, Matthias, Ros, Alexandra, Schmidt, Marius, Fromme, Raimund, Mancuso, Adrian P, Fromme, Petra, and Zatsepin, Nadia A

Subjects
Biochemistry and Cell Biology, Biological Sciences, 1.1 Normal biological development and functioning, Underpinning research, Generic health relevance, Crystallography, Cyanobacteria, Electrons, Lasers, Membrane Proteins, Models, Molecular, Photosystem I Protein Complex, Static Electricity, Synchrotrons, Thermosynechococcus, X-Rays
Abstract

The world's first superconducting megahertz repetition rate hard X-ray free-electron laser (XFEL), the European XFEL, began operation in 2017, featuring a unique pulse train structure with 886 ns between pulses. With its rapid pulse rate, the European XFEL may alleviate some of the increasing demand for XFEL beamtime, particularly for membrane protein serial femtosecond crystallography (SFX), leveraging orders-of-magnitude faster data collection. Here, we report the first membrane protein megahertz SFX experiment, where we determined a 2.9 Å-resolution SFX structure of the large membrane protein complex, Photosystem I, a > 1 MDa complex containing 36 protein subunits and 381 cofactors. We address challenges to megahertz SFX for membrane protein complexes, including growth of large quantities of crystals and the large molecular and unit cell size that influence data collection and analysis. The results imply that megahertz crystallography could have an important impact on structure determination of large protein complexes with XFELs.

Published
2019

24. A multi-million image Serial Femtosecond Crystallography dataset collected at the European XFEL

Author

Kirkwood, Henry J., de Wijn, Raphael, Mills, Grant, Letrun, Romain, Kloos, Marco, Vakili, Mohammad, Karnevskiy, Mikhail, Ahmed, Karim, Bean, Richard J., Bielecki, Johan, Dall’Antonia, Fabio, Kim, Yoonhee, Kim, Chan, Koliyadu, Jayanath, Round, Adam, Sato, Tokushi, Sikorski, Marcin, Vagovič, Patrik, Sztuk-Dambietz, Jolanta, and Mancuso, Adrian P.

Published
2022
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25. Megahertz serial crystallography

Author

Wiedorn, Max O, Oberthür, Dominik, Bean, Richard, Schubert, Robin, Werner, Nadine, Abbey, Brian, Aepfelbacher, Martin, Adriano, Luigi, Allahgholi, Aschkan, Al-Qudami, Nasser, Andreasson, Jakob, Aplin, Steve, Awel, Salah, Ayyer, Kartik, Bajt, Saša, Barák, Imrich, Bari, Sadia, Bielecki, Johan, Botha, Sabine, Boukhelef, Djelloul, Brehm, Wolfgang, Brockhauser, Sandor, Cheviakov, Igor, Coleman, Matthew A, Cruz-Mazo, Francisco, Danilevski, Cyril, Darmanin, Connie, Doak, R Bruce, Domaracky, Martin, Dörner, Katerina, Du, Yang, Fangohr, Hans, Fleckenstein, Holger, Frank, Matthias, Fromme, Petra, Gañán-Calvo, Alfonso M, Gevorkov, Yaroslav, Giewekemeyer, Klaus, Ginn, Helen Mary, Graafsma, Heinz, Graceffa, Rita, Greiffenberg, Dominic, Gumprecht, Lars, Göttlicher, Peter, Hajdu, Janos, Hauf, Steffen, Heymann, Michael, Holmes, Susannah, Horke, Daniel A, Hunter, Mark S, Imlau, Siegfried, Kaukher, Alexander, Kim, Yoonhee, Klyuev, Alexander, Knoška, Juraj, Kobe, Bostjan, Kuhn, Manuela, Kupitz, Christopher, Küpper, Jochen, Lahey-Rudolph, Janine Mia, Laurus, Torsten, Le Cong, Karoline, Letrun, Romain, Xavier, P Lourdu, Maia, Luis, Maia, Filipe RNC, Mariani, Valerio, Messerschmidt, Marc, Metz, Markus, Mezza, Davide, Michelat, Thomas, Mills, Grant, Monteiro, Diana CF, Morgan, Andrew, Mühlig, Kerstin, Munke, Anna, Münnich, Astrid, Nette, Julia, Nugent, Keith A, Nuguid, Theresa, Orville, Allen M, Pandey, Suraj, Pena, Gisel, Villanueva-Perez, Pablo, Poehlsen, Jennifer, Previtali, Gianpietro, Redecke, Lars, Riekehr, Winnie Maria, Rohde, Holger, Round, Adam, Safenreiter, Tatiana, Sarrou, Iosifina, Sato, Tokushi, Schmidt, Marius, Schmitt, Bernd, Schönherr, Robert, Schulz, Joachim, Sellberg, Jonas A, Seibert, M Marvin, and Seuring, Carolin

Subjects
Biochemistry and Cell Biology, Chemical Sciences, Biological Sciences
Abstract

The new European X-ray Free-Electron Laser is the first X-ray free-electron laser capable of delivering X-ray pulses with a megahertz inter-pulse spacing, more than four orders of magnitude higher than previously possible. However, to date, it has been unclear whether it would indeed be possible to measure high-quality diffraction data at megahertz pulse repetition rates. Here, we show that high-quality structures can indeed be obtained using currently available operating conditions at the European XFEL. We present two complete data sets, one from the well-known model system lysozyme and the other from a so far unknown complex of a β-lactamase from K. pneumoniae involved in antibiotic resistance. This result opens up megahertz serial femtosecond crystallography (SFX) as a tool for reliable structure determination, substrate screening and the efficient measurement of the evolution and dynamics of molecular structures using megahertz repetition rate pulses available at this new class of X-ray laser source.

Published
2018

26. Development of crystal optics for X‐ray multi‐projection imaging for synchrotron and XFEL sources.

Author

Bellucci, Valerio, Birnsteinova, Sarlota, Sato, Tokushi, Letrun, Romain, Koliyadu, Jayanath C. P., Kim, Chan, Giovanetti, Gabriele, Deiter, Carsten, Samoylova, Liubov, Petrov, Ilia, Lopez Morillo, Luis, Graceffa, Rita, Adriano, Luigi, Huelsen, Helge, Kollmann, Heiko, Tran Calliste, Thu Nhi, Korytar, Dusan, Zaprazny, Zdenko, Mazzolari, Andrea, and Romagnoni, Marco

Subjects
FRACTURE mechanics, CRYSTAL optics, THREE-dimensional imaging, IMAGE converters, SHOCK waves
Abstract

X‐ray multi‐projection imaging (XMPI) is an emerging experimental technique for the acquisition of rotation‐free, time‐resolved, volumetric information on stochastic processes. The technique is developed for high‐brilliance light‐source facilities, aiming to address known limitations of state‐of‐the‐art imaging methods in the acquisition of 4D sample information, linked to their need for sample rotation. XMPI relies on a beam‐splitting scheme, that illuminates a sample from multiple, angularly spaced viewpoints, and employs fast, indirect, X‐ray imaging detectors for the collection of the data. This approach enables studies of previously inaccessible phenomena of industrial and societal relevance such as fractures in solids, propagation of shock waves, laser‐based 3D printing, or even fast processes in the biological domain. In this work, we discuss in detail the beam‐splitting scheme of XMPI. More specifically, we explore the relevant properties of X‐ray splitter optics for their use in XMPI schemes, both at synchrotron insertion devices and XFEL facilities. Furthermore, we describe two distinct XMPI schemes, designed to faciliate large samples and complex sample environments. Finally, we present experimental proof of the feasibility of MHz‐rate XMPI at the European XFEL. This detailed overview aims to state the challenges and the potential of XMPI and act as a stepping stone for future development of the technique. [ABSTRACT FROM AUTHOR]

Published
2024
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27. Resolving Nonequilibrium Shape Variations among Millions of Gold Nanoparticles

Author

Shen, Zhou, primary, Xavier, Paul Lourdu, additional, Bean, Richard, additional, Bielecki, Johan, additional, Bergemann, Martin, additional, Daurer, Benedikt J., additional, Ekeberg, Tomas, additional, Estillore, Armando D., additional, Fangohr, Hans, additional, Giewekemeyer, Klaus, additional, Karnevskiy, Mikhail, additional, Kirian, Richard A., additional, Kirkwood, Henry, additional, Kim, Yoonhee, additional, Koliyadu, Jayanath C. P., additional, Lange, Holger, additional, Letrun, Romain, additional, Lübke, Jannik, additional, Mall, Abhishek, additional, Michelat, Thomas, additional, Morgan, Andrew J., additional, Roth, Nils, additional, Samanta, Amit K., additional, Sato, Tokushi, additional, Sikorski, Marcin, additional, Schulz, Florian, additional, Vagovic, Patrik, additional, Wollweber, Tamme, additional, Worbs, Lena, additional, Maia, Filipe, additional, Horke, Daniel Alfred, additional, Küpper, Jochen, additional, Mancuso, Adrian P., additional, Chapman, Henry, additional, Ayyer, Kartik, additional, and Loh, N. Duane, additional

Published
2024
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28. Microsecond time-resolved X-ray scattering by utilizing MHz repetition rate at second-generation XFELs

Author

Westenhoff, Sebastian, primary, Konold, Patrick, additional, Monrroy, Leonardo, additional, Bellisario, Alfredo, additional, Filipe, Diogo, additional, Adams, Patrick, additional, Alvarez, Roberto, additional, Bean, Richard, additional, Bielecki, Johan, additional, Bódizs, Szabolcs, additional, Ducroq, Gabriel, additional, Grubmueller, Helmut, additional, Kirian, Richard, additional, Kloos, Marco, additional, Koliyadu, Jayanat, additional, Koua, Faisal, additional, Larkiala, Taru, additional, Letrun, Romain, additional, Lindsten, Fredrik, additional, Maihöfer, Michael, additional, Martin, Andrew, additional, Mészáros, Petra, additional, Mutisya, Jennifer, additional, Nimmrich, Amke, additional, Okamoto, Kenta, additional, Round, Adam, additional, Sato, Tokushi, additional, Valerio, Joana, additional, Westphal, Daniel, additional, Wolter, August, additional, Yenupuri, Tej, additional, You, Tong, additional, and Maia, Filipe, additional

Published
2023
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29. First operation of the JUNGFRAU detector in 16-memory cell mode at European XFEL

Author

Sikorski, Marcin, primary, Ramilli, Marco, additional, de Wijn, Raphael, additional, Hinger, Viktoria, additional, Mozzanica, Aldo, additional, Schmitt, Bernd, additional, Han, Huijong, additional, Bean, Richard, additional, Bielecki, Johan, additional, Bortel, Gábor, additional, Dietze, Thomas, additional, Faigel, Gyula, additional, Kharitonov, Konstantin, additional, Kim, Chan, additional, Koliyadu, Jayanath C. P., additional, Koua, Faisal H. M., additional, Letrun, Romain, additional, Lopez, Luis M., additional, Reimers, Nadja, additional, Round, Adam, additional, Sarma, Abhisakh, additional, Sato, Tokushi, additional, Tegze, Miklós, additional, and Turcato, Monica, additional

Published
2023
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30. Laser-induced, single droplet fragmentation dynamics revealed through megahertz x-ray microscopy

Author

Reuter, Fabian, primary, Sato, Tokushi, additional, Bellucci, Valerio, additional, Birnsteinova, Sarlota, additional, Deiter, Carsten, additional, Koliyadu, Jayanath C. P., additional, Letrun, Romain, additional, Villanueva-Perez, Pablo, additional, Bean, Richard, additional, Mancuso, Adrian P., additional, Meents, Alke, additional, Vagovic, Patrik, additional, and Ohl, Claus-Dieter, additional

Published
2023
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31. Integration and first operation of the Gotthard-II detector at European XFEL

Author

Ramilli, Marco, primary, Ahmed, Karim, additional, de Wijin, Raphael, additional, Dietze, Thomas, additional, Fernandes, Bruno, additional, Hammer, David, additional, Jiang, Yifeng, additional, Khakhulin, Dmitry, additional, Koliyadu, Jayanath C.P., additional, Letrun, Romain, additional, Liu, Jia, additional, Lopez-Cuenca, Carlos, additional, Mezza, Davide, additional, Milne, Christopher, additional, Mozzanica, Aldo, additional, Parenti, Andrea, additional, Sato, Tokushi, additional, Schmidt, Philipp, additional, Schmitt, Bernd, additional, Sikorski, Marcin, additional, Turcato, Monica, additional, Uemura, Yohei, additional, Wang, Hao, additional, Yousef, Hazem, additional, and Zhang, Jiaguo, additional

Published
2023
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32. 3D-printed sheet jet for stable megahertz liquid sample delivery at X-ray free-electron lasers

Author

Konold, Patrick E., primary, You, Tong, additional, Bielecki, Johan, additional, Valerio, Joana, additional, Kloos, Marco, additional, Westphal, Daniel, additional, Bellisario, Alfredo, additional, Varma Yenupuri, Tej, additional, Wollter, August, additional, Koliyadu, Jayanath C. P., additional, Koua, Faisal H.M., additional, Letrun, Romain, additional, Round, Adam, additional, Sato, Tokushi, additional, Mészáros, Petra, additional, Monrroy, Leonardo, additional, Mutisya, Jennifer, additional, Bódizs, Szabolcs, additional, Larkiala, Taru, additional, Nimmrich, Amke, additional, Alvarez, Roberto, additional, Adams, Patrick, additional, Bean, Richard, additional, Ekeberg, Tomas, additional, Kirian, Richard A., additional, Martin, Andrew V., additional, Westenhoff, Sebastian, additional, and Maia, Filipe R. N. C., additional

Published
2023
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33. Light-induced Trpin/Metout switching during BLUF domain activation in ATP-bound photoactivatable adenylate cyclase OaPAC

Author

Chretien, Anaïs, primary, Nagel, Marius F., additional, Botha, Sabine, additional, de Wijn, Raphaël, additional, Brings, Lea, additional, Dörner, Katerina, additional, Han, Huijong, additional, Koliyadu, Jayanath C. P., additional, Letrun, Romain, additional, Round, Adam, additional, Sato, Tokushi, additional, Schmidt, Christina, additional, Secareanu, Radu-Costin, additional, von Stetten, David, additional, Vakili, Mohammad, additional, Wrona, Agnieszka, additional, Bean, Richard, additional, Mancuso, Adrian, additional, Schulz, Joachim, additional, Pearson, Arwen R., additional, Kottke, Tilman, additional, Lorenzen, Kristina, additional, and Schubert, Robin, additional

Published
2023
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34. Direct observation of 890 ns dynamics of carbon black and polybutadiene in rubber materials using diffracted x-ray blinking

Author

Kuramochi, Masahiro, primary, Kirkwood, Henry J., additional, Koliyadu, Jayanath C. P., additional, Letrun, Romain, additional, de Wijn, Raphael, additional, Kim, Chan, additional, Masui, Tomomi, additional, Mio, Kazuhiro, additional, Arai, Tatsuya, additional, Sekiguchi, Hiroshi, additional, Kishimoto, Hiroyuki, additional, Mancuso, Adrian P., additional, Sato, Tokushi, additional, and Sasaki, Yuji C., additional

Published
2023
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35. On the fly crystallization for nucleation studies by serial femtosecond crystallography at the European X-ray Free-Electron Laser

Author

de Wijn, Raphael, primary, Mills, Grant, additional, Bielecki, Johan, additional, Han, Huijong, additional, Hammad Mekky Koua, Faisal, additional, Kantamneni, Sravya, additional, Kim, Chan, additional, Koliyadu, Jayanath, additional, Letrun, Romain, additional, Melo, Diogo, additional, Round, Adam, additional, Sato, Tokushi, additional, Schubert, Robin, additional, Vakili, Mohammad, additional, Wrona, Agnieszka, additional, Mancuso, Adrian P., additional, and Bean, Richard, additional

Published
2023
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36. MHz data collection of a microcrystalline mixture of different jack bean proteins

Author

Grünbein, Marie Luise, Bielecki, Johan, Gorel, Alexander, Stricker, Miriam, Bean, Richard, Cammarata, Marco, Dörner, Katerina, Fröhlich, Lars, Hartmann, Elisabeth, Hauf, Steffen, Hilpert, Mario, Kim, Yoonhee, Kloos, Marco, Letrun, Romain, Messerschmidt, Marc, Mills, Grant, Nass Kovacs, Gabriela, Ramilli, Marco, Roome, Christopher M., Sato, Tokushi, Scholz, Matthias, Sliwa, Michel, Sztuk-Dambietz, Jolanta, Weik, Martin, Weinhausen, Britta, Al-Qudami, Nasser, Boukhelef, Djelloul, Brockhauser, Sandor, Ehsan, Wajid, Emons, Moritz, Esenov, Sergey, Fangohr, Hans, Kaukher, Alexander, Kluyver, Thomas, Lederer, Max, Maia, Luis, Manetti, Maurizio, Michelat, Thomas, Münnich, Astrid, Pallas, Florent, Palmer, Guido, Previtali, Gianpietro, Raab, Natascha, Silenzi, Alessandro, Szuba, Janusz, Venkatesan, Sandhya, Wrona, Krzysztof, Zhu, Jun, Doak, R. Bruce, Shoeman, Robert L., Foucar, Lutz, Colletier, Jacques-Philippe, Mancuso, Adrian P., Barends, Thomas R. M., Stan, Claudiu A., and Schlichting, Ilme

Published
2019
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37. Megahertz X-ray multi-projection imaging

Author

Villanueva-Perez, Pablo, primary, Bellucci, Valerio, additional, Zhang, Yuhe, additional, Birnšteinová, Šarlota, additional, Graceffa, Rita, additional, Adriano, Luigi, additional, Asimakopoulu, Eleni Myrto, additional, Petrov, Ilia, additional, Yao, Zisheng, additional, Romagnoni, Marco, additional, Mazzolari, Andrea, additional, Letrun, Romain, additional, Kim, Chan, additional, Koliyadu, Jayanath, additional, Deiter, Carsten, additional, Bean, Richard, additional, Giovanetti, Gabriele, additional, Gellisio, Luca, additional, Ritschel, Tobias, additional, Mancuso, Adrian, additional, Chapman, Henry, additional, Meents, Alke, additional, Sato, Tokushi, additional, and Vagovic, Patrik, additional

Published
2023
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38. Coherent diffractive imaging of lipid vesicles and synaptic vesicles by femtosecond x-ray FEL pulses

Author

Neuhaus, Charlotte, primary, Alfken, Jette, additional, Komorowski, Karlo, additional, Stammer, Moritz L., additional, Bean, Richard, additional, Bielecki, Johan, additional, de Wijn, Raphael, additional, Letrun, Romain, additional, Rafie-Zinedine, Safi, additional, Juncheng, E., additional, Mancuso, Adrian, additional, Jahn, Reinhard, additional, and Salditt, Tim, additional

Published
2023
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39. Revealing the Origins of Vortex Cavitation in a Venturi Tube by High Speed X-Ray Imaging

Author

Soyama, Hitoshi, primary, Liang, Xiaoyu, additional, Yashiro, Wataru, additional, Kajiwara, Kentaro, additional, Asimakopoulou, Eleni Myrto, additional, Bellucci, Valerio, additional, Birnsteinova, Sarlota, additional, Giovanetti, Gabriele, additional, Kim, Chan, additional, Kirkwood, Henry J., additional, Koliyadu, Jayanath C. P., additional, Letrun, Romain, additional, Zhang, Yuhe, additional, Uličný, Jozef, additional, Bean, Richard, additional, Mancuso, Adrian P., additional, Villanueva-Perez, Pablo, additional, Sato, Tokushi, additional, Vagovič, Patrik, additional, Eakins, Daniel, additional, and Korsunsky, Alexander M., additional

Published
2023
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40. Megahertz data collection from protein microcrystals at an X-ray free-electron laser

Author

Grünbein, Marie Luise, Bielecki, Johan, Gorel, Alexander, Stricker, Miriam, Bean, Richard, Cammarata, Marco, Dörner, Katerina, Fröhlich, Lars, Hartmann, Elisabeth, Hauf, Steffen, Hilpert, Mario, Kim, Yoonhee, Kloos, Marco, Letrun, Romain, Messerschmidt, Marc, Mills, Grant, Nass Kovacs, Gabriela, Ramilli, Marco, Roome, Christopher M., Sato, Tokushi, Scholz, Matthias, Sliwa, Michel, Sztuk-Dambietz, Jolanta, Weik, Martin, Weinhausen, Britta, Al-Qudami, Nasser, Boukhelef, Djelloul, Brockhauser, Sandor, Ehsan, Wajid, Emons, Moritz, Esenov, Sergey, Fangohr, Hans, Kaukher, Alexander, Kluyver, Thomas, Lederer, Max, Maia, Luis, Manetti, Maurizio, Michelat, Thomas, Münnich, Astrid, Pallas, Florent, Palmer, Guido, Previtali, Gianpietro, Raab, Natascha, Silenzi, Alessandro, Szuba, Janusz, Venkatesan, Sandhya, Wrona, Krzysztof, Zhu, Jun, Doak, R. Bruce, Shoeman, Robert L., Foucar, Lutz, Colletier, Jacques-Philippe, Mancuso, Adrian P., Barends, Thomas R. M., Stan, Claudiu A., and Schlichting, Ilme

Published
2018
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41. Automatic bad-pixel mask maker for X-ray pixel detectors with application to serial crystallography

Author

Sadri, Alireza, primary, Hadian-Jazi, Marjan, additional, Yefanov, Oleksandr, additional, Galchenkova, Marina, additional, Kirkwood, Henry, additional, Mills, Grant, additional, Sikorski, Marcin, additional, Letrun, Romain, additional, de Wijn, Raphael, additional, Vakili, Mohammad, additional, Oberthuer, Dominik, additional, Komadina, Dana, additional, Brehm, Wolfgang, additional, Mancuso, Adrian P., additional, Carnis, Jerome, additional, Gelisio, Luca, additional, and Chapman, Henry N., additional

Published
2022
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42. Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography

Author

Patel, Jaydeep, primary, Round, Adam, additional, Bielecki, Johan, additional, Doerner, Katerina, additional, Kirkwood, Henry, additional, Letrun, Romain, additional, Schulz, Joachim, additional, Sikorski, Marcin, additional, Vakili, Mohammad, additional, de Wijn, Raphael, additional, Peele, Andrew, additional, Mancuso, Adrian P., additional, and Abbey, Brian, additional

Published
2022
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43. Pump–probe capabilities at the SPB/SFX instrument of the European XFEL

Author

Koliyadu, Jayanath C. P., primary, Letrun, Romain, additional, Kirkwood, Henry J., additional, Liu, Jia, additional, Jiang, Man, additional, Emons, Moritz, additional, Bean, Richard, additional, Bellucci, Valerio, additional, Bielecki, Johan, additional, Birnsteinova, Sarlota, additional, de Wijn, Raphael, additional, Dietze, Thomas, additional, E, Juncheng, additional, Grünert, Jan, additional, Kane, Daniel, additional, Kim, Chan, additional, Kim, Yoonhee, additional, Lederer, Max, additional, Manning, Bradley, additional, Mills, Grant, additional, Morillo, Luis L., additional, Reimers, Nadja, additional, Rompotis, Dimitrios, additional, Round, Adam, additional, Sikorski, Marcin, additional, Takem, Cedric M. S., additional, Vagovič, Patrik, additional, Venkatesan, Sandhya, additional, Wang, Jinxiong, additional, Wegner, Ulrike, additional, Mancuso, Adrian P., additional, and Sato, Tokushi, additional

Published
2022
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44. Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

Author

Zhuang, Yulong, Awel, Salah, Barty, Anton, Bean, Richard, Bielecki, Johan, Bergemann, Martin, Daurer, Benedikt J., Ekeberg, Tomas, Estillore, Armando D., Fangohr, Hans, Giewekemeyer, Klaus, Hunter, Mark S., Karnevskiy, Mikhail, Kirian, Richard A., Kirkwood, Henry, Kim, Yoonhee, Koliyadu, Jayanath, Lange, Holger, Letrun, Romain, Luebke, Jannik, Mall, Abhishek, Michelat, Thomas, Morgan, Andrew J., Roth, Nils, Samanta, Amit K., Sato, Tokushi, Shen, Zhou, Sikorski, Marcin, Schulz, Florian, Spence, John C. H., Vagovic, Patrik, Wollweber, Tamme, Worbs, Lena, Xavier, P. Lourdu, Yefanov, Oleksandr, Maia, Filipe, Horke, Daniel A., Küpper, Jochen, Loh, N. Duane, Mancuso, Adrian P., Chapman, Henry N., Ayyer, Kartik, Zhuang, Yulong, Awel, Salah, Barty, Anton, Bean, Richard, Bielecki, Johan, Bergemann, Martin, Daurer, Benedikt J., Ekeberg, Tomas, Estillore, Armando D., Fangohr, Hans, Giewekemeyer, Klaus, Hunter, Mark S., Karnevskiy, Mikhail, Kirian, Richard A., Kirkwood, Henry, Kim, Yoonhee, Koliyadu, Jayanath, Lange, Holger, Letrun, Romain, Luebke, Jannik, Mall, Abhishek, Michelat, Thomas, Morgan, Andrew J., Roth, Nils, Samanta, Amit K., Sato, Tokushi, Shen, Zhou, Sikorski, Marcin, Schulz, Florian, Spence, John C. H., Vagovic, Patrik, Wollweber, Tamme, Worbs, Lena, Xavier, P. Lourdu, Yefanov, Oleksandr, Maia, Filipe, Horke, Daniel A., Küpper, Jochen, Loh, N. Duane, Mancuso, Adrian P., Chapman, Henry N., and Ayyer, Kartik

Abstract

One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. Proposed here are two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA), provides a rough classification which is essentially parameter free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs), can generate 3D structures of the objects at any point in the structural landscape. Both these methods are implemented in combination with the noise-tolerant expand-maximizecompress (EMC) algorithm and its utility is demonstrated by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern. Both discrete structural classes and continuous deformations are recovered. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility of moving beyond the study of homogeneous sample sets to addressing open questions on topics such as nanocrystal growth and dynamics, as well as phase transitions which have not been externally triggered.

Published
2022
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45. 3D printed devices and infrastructure for liquid sample delivery at the European XFEL

Author

Vakili, Mohammad, primary, Bielecki, Johan, additional, Knoška, Juraj, additional, Otte, Florian, additional, Han, Huijong, additional, Kloos, Marco, additional, Schubert, Robin, additional, Delmas, Elisa, additional, Mills, Grant, additional, de Wijn, Raphael, additional, Letrun, Romain, additional, Dold, Simon, additional, Bean, Richard, additional, Round, Adam, additional, Kim, Yoonhee, additional, Lima, Frederico A., additional, Dörner, Katerina, additional, Valerio, Joana, additional, Heymann, Michael, additional, Mancuso, Adrian P., additional, and Schulz, Joachim, additional

Published
2022
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46. Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

Author

Zhuang, Yulong, primary, Awel, Salah, additional, Barty, Anton, additional, Bean, Richard, additional, Bielecki, Johan, additional, Bergemann, Martin, additional, Daurer, Benedikt J., additional, Ekeberg, Tomas, additional, Estillore, Armando D., additional, Fangohr, Hans, additional, Giewekemeyer, Klaus, additional, Hunter, Mark S., additional, Karnevskiy, Mikhail, additional, Kirian, Richard A., additional, Kirkwood, Henry, additional, Kim, Yoonhee, additional, Koliyadu, Jayanath, additional, Lange, Holger, additional, Letrun, Romain, additional, Lübke, Jannik, additional, Mall, Abhishek, additional, Michelat, Thomas, additional, Morgan, Andrew J., additional, Roth, Nils, additional, Samanta, Amit K., additional, Sato, Tokushi, additional, Shen, Zhou, additional, Sikorski, Marcin, additional, Schulz, Florian, additional, Spence, John C. H., additional, Vagovic, Patrik, additional, Wollweber, Tamme, additional, Worbs, Lena, additional, Xavier, P. Lourdu, additional, Yefanov, Oleksandr, additional, Maia, Filipe R. N. C., additional, Horke, Daniel A., additional, Küpper, Jochen, additional, Loh, N. Duane, additional, Mancuso, Adrian P., additional, Chapman, Henry N., additional, and Ayyer, Kartik, additional

Published
2022
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47. De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals

Author

Tetreau, Guillaume, primary, Sawaya, Michael R., additional, De Zitter, Elke, additional, Andreeva, Elena A., additional, Banneville, Anne-Sophie, additional, Schibrowsky, Natalie, additional, Coquelle, Nicolas, additional, Brewster, Aaron S., additional, Grünbein, Marie Luise, additional, Kovacs, Gabriela Nass, additional, Hunter, Mark S., additional, Kloos, Marco, additional, Sierra, Raymond G., additional, Schiro, Giorgio, additional, Qiao, Pei, additional, Stricker, Myriam, additional, Bideshi, Dennis, additional, Young, Iris D., additional, Zala, Ninon, additional, Engilberge, Sylvain, additional, Gorel, Alexander, additional, Signor, Luca, additional, Teulon, Jean-Marie, additional, Hilpert, Mario, additional, Foucar, Lutz, additional, Bielecki, Johan, additional, Bean, Richard, additional, de Wijn, Raphael, additional, Sato, Tokushi, additional, Kirkwood, Henry, additional, Letrun, Romain, additional, Batyuk, Alexander, additional, Snigireva, Irina, additional, Fenel, Daphna, additional, Schubert, Robin, additional, Canfield, Ethan J., additional, Alba, Mario M., additional, Laporte, Frédéric, additional, Després, Laurence, additional, Bacia, Maria, additional, Roux, Amandine, additional, Chapelle, Christian, additional, Riobé, François, additional, Maury, Olivier, additional, Ling, Wai Li, additional, Boutet, Sébastien, additional, Mancuso, Adrian, additional, Gutsche, Irina, additional, Girard, Eric, additional, Barends, Thomas R. M., additional, Pellequer, Jean-Luc, additional, Park, Hyun-Woo, additional, Laganowsky, Arthur D., additional, Rodriguez, Jose, additional, Burghammer, Manfred, additional, Shoeman, Robert L., additional, Doak, R. Bruce, additional, Weik, Martin, additional, Sauter, Nicholas K., additional, Federici, Brian, additional, Cascio, Duilio, additional, Schlichting, Ilme, additional, and Colletier, Jacques-Philippe, additional

Published
2021
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48. Data reduction for serial crystallography using a robust peak finder

Author

Hadian-Jazi, Marjan, primary, Sadri, Alireza, additional, Barty, Anton, additional, Yefanov, Oleksandr, additional, Galchenkova, Marina, additional, Oberthuer, Dominik, additional, Komadina, Dana, additional, Brehm, Wolfgang, additional, Kirkwood, Henry, additional, Mills, Grant, additional, de Wijn, Raphael, additional, Letrun, Romain, additional, Kloos, Marco, additional, Vakili, Mohammad, additional, Gelisio, Luca, additional, Darmanin, Connie, additional, Mancuso, Adrian P., additional, Chapman, Henry N., additional, and Abbey, Brian, additional

Published
2021
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49. Beam Arrival Stability at the European XFEL

Author

Czwalinna, Marie, Boll, Rebecca, Kirkwood, Henry, Koliyadu, Jayanath, Kral, Jiri, Lautenschlager, Björn, Letrun, Romain, Liu, Jia, Müller, Jost, Pallas, Florent, Rivas, Daniel, Sato, Tokushi, Schlarb, Holger, Schulz, Sebastian, and Steffen, Bernd

Subjects
Beam Instrumentation, Controls, Feedback and Operational Aspects [MC6], Physics::Accelerator Physics, Accelerator Physics, MC6: Beam Instrumentation, Controls, Feedback and Operational Aspects
Abstract

Proceedings of the 12th International Particle Accelerator Conference, IPAC2021, Campinas, SP, Brazil 12th International Particle Accelerator Conference, IPAC'21, Campinas, Brazil, 24 May 2021 - 28 May 2021; JACoW Publishing, Geneva, Switzerland 6 pp. (2021). doi:10.18429/JACOW-IPAC2021-THXB02, Free electron laser facilities, such as the European XFEL, make increasingly high demands on the longterm temporal stability and uniformity of the electron bunches, as pump-probe experiments meanwhile aim for timing stabilities of few femtoseconds residual jitter only. For a beam-based feedback control of the linear accelerator, electro-optical bunch arrival-time monitors are deployed, achieving a time resolution better than 3 fs. In a first attempt, we recently demonstrated a beam-based feedback system, reducing the arrival time jitter of the electron bunches to the 10 fs level with stable operation over hours. For pump-probe experiments it is crucial to equally verify this new level of precision in the FEL pulse arrival time with independent methods. In this work, we are discussing first results from examining the facility-wide temporal stability at the European XFEL, with attention to the contributions of various sub-systems and on the different time scales., Published by JACoW Publishing, Geneva, Switzerland

Published
2021
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50. Direct Observation of the Mechanism of Antibiotic Resistance by Mix-and-Inject at the European XFEL

Author

Pandey, Suraj, Bean, Richard, Hunter, Mark, Abdellatif, Mohamed H., Bajt, Saša, Bondar, Valerii, Echelmeier, Austin, Doppler, Diandra, Emons, Moritz, Frank, Matthias, Fromme, Raimund, Gevorkov, Yaroslav, Sato, Tokushi, Giovanetti, Gabriele, Jiang, Man, Kim, Daihyun, Kim, Yoonhee, Kirkwood, Henry, Klimovskaia, Anna, Knoska, Juraj, Koua, Faisal H. M., Letrun, Romain, Lisova, Stella, Poudyal, Ishwor, Maia, Luis, Mazalova, Victoria, Meza, Domingo, Michelat, Thomas, Ourmazd, Abbas, Palmer, Guido, Ramilli, Marco, Schubert, Robin, Schwander, Peter, Silenzi, Alessandro, Bielecki, Johan, Sztuk-Dambietz, Jolanta, Tolstikova, Alexandra, Chapman, Henry N., Ros, Alexandra, Barty, Anton, Fromme, Petra, Mancuso, Adrian P., Schmidt, Marius, Cruz Villarreal, Jorvani, Yefanov, Oleksandr, Mariani, Valerio, White, Thomas A., and Kupitz, Christopher

Subjects
Enzyme substrate complex, Millisecond, Materials science, Bacterial antibiotic resistance, Chemical physics, Atomic resolution, Direct observation, Substrate (chemistry), Time resolution, ddc:610, Ultrashort pulse
Abstract

In this study, we follow the diffusion and buildup of occupancy of the substrate ceftriaxone inM. tuberculosisβ-lactamase BlaC microcrystals by structural analysis of the enzyme substrate complex at single millisecond time resolution. We also show the binding and the reaction of an inhibitor, sulbactam, on a slower millisecond time scale. We use the ‘mix-and-inject’ technique to initiate these reactions by diffusion, and determine the resulting structures by serial crystallography using ultrafast, intense X-ray pulses from the European XFEL (EuXFEL) arriving at MHz repetition rates. Here, we show how to use the EuXFEL pulse structure to dramatically increase the size of the data set and thereby the quality and time resolution of “molecular movies” which unravel ligand binding and enzymatically catalyzed reactions. This shows the great potential for the EuXFEL as a tool for biomedically relevant research, particularly, as shown here, for investigating bacterial antibiotic resistance.One Sentence SummaryDirect observation of fast ligand binding in a biomedically relevant enzyme at near atomic resolution with MHz X-ray pulses at the European XFEL.

Published
2020
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