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1. Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers

Author

Alexander Gorel, Marie Luise Grünbein, Richard Bean, Johan Bielecki, Mario Hilpert, Michele Cascella, Jacques-Philippe Colletier, Hans Fangohr, Lutz Foucar, Elisabeth Hartmann, Mark S. Hunter, Henry Kirkwood, Marco Kloos, Romain Letrun, Thomas Michelat, Robert L. Shoeman, Jolanta Sztuk-Dambietz, Guillaume Tetreau, Herbert Zimmermann, Adrian P. Mancuso, Thomas R.M. Barends, R. Bruce Doak, Claudiu Andrei Stan, and Ilme Schlichting

Subjects
X-ray free-electron laser, serial femtosecond crystallography, shock wave, protein crystallography, Crystallography, QD901-999
Abstract

Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample. To investigate this efficiently, we employed a novel XFEL pulse pattern to nominally expose the sample to between zero and four shock waves before being probed. Analyzing hit rate, indexing rate, and resolution for diffraction data recorded at MHz pulse rates, we found no evidence of damage. Notably, however, this conclusion could only be drawn after careful identification and assimilation of numerous interrelated experimental factors, which we describe in detail. Failure to do so would have led to an erroneous conclusion. Femtosecond photography of the sample-carrying jet revealed critically different jet behavior from that of all homogeneous liquid jets studied to date in this manner.

Published
2020
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2. Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers

Author

Herbert Zimmermann, Jacques-Philippe Colletier, Michele Cascella, Marco Kloos, Mark S. Hunter, Thomas R. M. Barends, Richard Bean, Henry Kirkwood, Thomas Michelat, Robert L. Shoeman, Jolanta Sztuk-Dambietz, Johan Bielecki, Romain Letrun, A. Gorel, Guillaume Tetreau, Lutz Foucar, Claudiu A. Stan, Hans Fangohr, Marie Luise Grünbein, Elisabeth Hartmann, M. Hilpert, Ilme Schlichting, Adrian P. Mancuso, R. Bruce Doak, Max-Planck-Institut für Medizinische Forschung, Max-Planck-Gesellschaft, European XFEL GmbH (XFEL), European XFEL GmbH, Institut de biologie structurale (IBS - UMR 5075), Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA), Max Planck Institute for Medical Research [Heidelberg], SLAC National Accelerator Laboratory (SLAC), Stanford University, Department of Physics, Rutgers University [Newark], Rutgers University System (Rutgers)-Rutgers University System (Rutgers), and ANR-17-CE11-0018,X-in-vivo,Cristallisation in vivo: une nouvelle stratégie pour étudier la structure et la dynamique des protéines dans les lasers à électrons libres et les synchrotrons.(2017)

Subjects
0301 basic medicine, Diffraction, Free electron model, Shock wave, MESH: serial femtosecond crystallography, 030103 biophysics, serial femtosecond crystallography, Materials science, shock wave, General Chemical Engineering, law.invention, Inorganic Chemistry, 03 medical and health sciences, law, protein crystallography, lcsh:QD901-999, General Materials Science, Supersonic speed, Uncategorized, MESH: protein crystallography, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], X-ray, MESH: shock wave, Condensed Matter Physics, Laser, Crystallography, 030104 developmental biology, X-ray crystallography, Femtosecond, X-ray free-electron laser, lcsh:Crystallography, MESH: X-ray free-electron laser
Abstract

International audience; Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample. To investigate this efficiently, we employed a novel XFEL pulse pattern to nominally expose the sample to between zero and four shock waves before being probed. Analyzing hit rate, indexing rate, and resolution for diffraction data recorded at MHz pulse rates, we found no evidence of damage. Notably, however, this conclusion could only be drawn after careful identification and assimilation of numerous interrelated experimental factors, which we describe in detail. Failure to do so would have led to an erroneous conclusion. Femtosecond photography of the sample-carrying jet revealed critically different jet behavior from that of all homogeneous liquid jets studied to date in this manner.

Published
2020
Full Text
View/download PDF

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