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2017 publication guidelines for structural modelling of small‐angle scattering data from biomolecules in solution: an update
Author(s) -
Trewhella Jill,
Duff Anthony P.,
Durand Dominique,
Gabel Frank,
Guss J. Mitchell,
Hendrickson Wayne A.,
Hura Greg L.,
Jacques David A.,
Kirby Nigel M.,
Kwan Ann H.,
Pérez Javier,
Pollack Lois,
Ryan Timothy M.,
Sali Andrej,
Schneidman-Duhovny Dina,
Schwede Torsten,
Svergun Dmitri I.,
Sugiyama Masaaki,
Tainer John A.,
Vachette Patrice,
Westbrook John,
Whitten Andrew E.
Publication year - 2017
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.374
H-Index - 138
ISSN - 2059-7983
DOI - 10.1107/s2059798317011597
Subject(s) - scope (computer science) , data presentation , small angle scattering , scattering , presentation (obstetrics) , computer science , field (mathematics) , data science , protein data bank , quality (philosophy) , data collection , physics , statistics , medicine , mathematics , protein structure , optics , nuclear magnetic resonance , quantum mechanics , pure mathematics , radiology , programming language
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.