1. 2017 publication guidelines for structural modelling of small-angle scattering data from biomolecules in solution: an update
- Author
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Wayne A. Hendrickson, Lois Pollack, Javier Pérez, Nigel Kirby, Greg L. Hura, Patrice Vachette, Torsten Schwede, Dominique Durand, Jill Trewhella, Ann H. Kwan, John D. Westbrook, Timothy M. Ryan, Dmitri I. Svergun, Andrej Sali, David A. Jacques, Dina Schneidman-Duhovny, Anthony P. Duff, John A. Tainer, J. Mitchell Guss, Masaaki Sugiyama, Andrew E. Whitten, Frank Gabel, School of Molecular and Microbial Biosciences, The University of Sydney [Sydney], Ctr Natl Rech Sci, Inst Biochim & Biophys Mol & Cellulaire, Unite Mixte Rech 8619, Université Paris-Sud - Paris 11 ( UP11 ), Institut de biologie structurale ( IBS - UMR 5075 ), Université Joseph Fourier - Grenoble 1 ( UJF ) -Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Grenoble Alpes ( UGA ), University of Sydney, School od Medicinal Sciences, SWING beamline, Biophysics Group ( SWING ), Synchrotron SOLEIL, Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, University of California [San Francisco] ( UCSF ) -California Institute for Quantitative Biosciences, Biozentrum, University of Basel ( Unibas ), Institut de Biologie Intégrative de la Cellule ( I2BC ), Université Paris-Saclay-Centre National de la Recherche Scientifique ( CNRS ) -Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ) -Université Paris-Sud - Paris 11 ( UP11 ), Department of Chemistry and Chemical Biology, Center for Integrative Proteomics Research, Rutgers, Rutgers, The State University of New Jersey [New Brunswick] ( RUTGERS ), The University of Sydney, Université Paris-Sud - Paris 11 (UP11), Institut de biologie structurale (IBS - UMR 5075 ), Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-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)-Centre National de la Recherche Scientifique (CNRS), SWING beamline, Biophysics Group (SWING), Department of Bioengineering and Therapeutic Sciences, University of California [San Francisco] (UCSF), University of California-University of California, Biozentrum [Basel, Suisse], University of Basel (Unibas), Institut de Biologie Intégrative de la Cellule (I2BC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Rutgers, The State University of New Jersey [New Brunswick] (RU), Rutgers University System (Rutgers)-Rutgers University System (Rutgers), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), University of California [San Francisco] (UC San Francisco), and University of California (UC)-University of California (UC)
- Subjects
0301 basic medicine ,Models, Molecular ,Computer science ,MESH : DNA ,MESH: Editorial Policies ,Biomolecular structure ,01 natural sciences ,Field (computer science) ,small-angle scattering ,MESH : Proteins ,Data acquisition ,X-Ray Diffraction ,Structural Biology ,MESH : RNA ,MESH : Scattering, Small Angle ,MESH: Animals ,MESH: Proteins ,Databases, Protein ,integrative structural biology ,[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM] ,Scope (project management) ,MESH: DNA ,MESH: X-Ray Diffraction ,SAXS ,Research Papers ,3. Good health ,Sample quality ,structural modelling ,Small-angle scattering ,MESH: Models, Molecular ,Editorial Policies ,MESH: Databases, Protein ,MESH : Models, Molecular ,010402 general chemistry ,03 medical and health sciences ,MESH : X-Ray Diffraction ,MESH: RNA ,Scattering, Small Angle ,Animals ,Humans ,publication guidelines ,MESH : Databases, Protein ,MESH: Scattering, Small Angle ,MESH: Humans ,Task force ,SANS ,MESH : Humans ,biomolecular structure ,Proteins ,DNA ,Data science ,proteins ,0104 chemical sciences ,030104 developmental biology ,MESH : Editorial Policies ,Data presentation ,hybrid structural modelling ,RNA ,MESH : Animals ,[ SDV.BBM.BS ] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biomolecules [q-bio.BM] - Abstract
Updated guidelines are presented for publishing biomolecular small-angle scattering (SAS) experiments so that readers can independently assess the quality of the data and models presented. The focus is on solution scattering experiments with either X-rays (SAXS) or neutrons (SANS), where the primary goal is the generation and testing of three-dimensional models, particularly in the context of integrative/hybrid structural modelling., In 2012, preliminary guidelines were published addressing sample quality, data acquisition and reduction, presentation of scattering data and validation, and modelling for biomolecular small-angle scattering (SAS) experiments. Biomolecular SAS has since continued to grow and authors have increasingly adopted the preliminary guidelines. In parallel, integrative/hybrid determination of biomolecular structures is a rapidly growing field that is expanding the scope of structural biology. For SAS to contribute maximally to this field, it is essential to ensure open access to the information required for evaluation of the quality of SAS samples and data, as well as the validity of SAS-based structural models. To this end, the preliminary guidelines for data presentation in a publication are reviewed and updated, and the deposition of data and associated models in a public archive is recommended. These guidelines and recommendations have been prepared in consultation with the members of the International Union of Crystallography (IUCr) Small-Angle Scattering and Journals Commissions, the Worldwide Protein Data Bank (wwPDB) Small-Angle Scattering Validation Task Force and additional experts in the field.
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- 2017
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