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Acta Crystallogr D Struct Biol. 2017 Sep 1;73(Pt 9):710-728. doi: 10.1107/S2059798317011597. Epub 2017 Aug 18.

2017 publication guidelines for structural modelling of small-angle scattering data from biomolecules in solution: an update.

Author information

1
School of Life and Environmental Sciences, The University of Sydney, NSW 2006, Australia.
2
ANSTO, New Illawarra Road, Lucas Heights, NSW 2234, Australia.
3
Institut de Biologie Intégrative de la Cellule, UMR 9198, Bâtiment 430, Université Paris-Sud, 91405 Orsay CEDEX, France.
4
Université Grenoble Alpes, Commissariat à l'Energie Atomique (CEA), Centre National de la Recherche Scientifique (CNRS), Institut de Biologie Structurale (IBS), and Institut Laue-Langevin, 71 Avenue des Martyrs, 38000 Grenoble, France.
5
Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY 10032, USA.
6
Molecular Biophysics and Integrated Bioimaging, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
7
University of Technology Sydney, ithree Institute, 15 Broadway, Ultimo, NSW 2007, Australia.
8
Australian Synchrotron, 800 Blackburn Road, Clayton, VIC 3168, Australia.
9
Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin BP48, 91192 Gif-sur-Yvette CEDEX, France.
10
School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853-2501, USA.
11
Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, and California Institute for Quantitative Biosciences (QB3), University of California San Francisco, San Francisco, California, USA.
12
School of Computer Science and Engineering, Institute of Life Sciences, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel.
13
Biozentrum, University of Basel and SIB Swiss Institute of Bioinformatics, Basel, Switzerland.
14
European Molecular Biology Laboratory (EMBL) Hamburg, c/o DESY, Nokestrasse 85, 22607 Hamburg, Germany.
15
Research Reactor Institute, Kyoto University, Kumatori, Sennan-gun, Osaka 590-0494, Japan.
16
Basic Science Research Division, Molecular and Cellular Oncology, MD Anderson Cancer Center, University of Texas, Houston, Texas, USA.
17
Department of Chemistry and Chemical Biology, Rutgers University, New Brunswick, NJ 07102, USA.

Abstract

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.

KEYWORDS:

DNA; RNA; SANS; SAXS; biomolecular structure; hybrid structural modelling; integrative structural biology; proteins; publication guidelines; small-angle scattering; structural modelling

PMID:
28876235
PMCID:
PMC5586245
DOI:
10.1107/S2059798317011597
[Indexed for MEDLINE]
Free PMC Article

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