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

被引：193

作者：

Trewhella, Jill ^{[1
]}

Duff, Anthony P. ^{[2
]}

Durand, Dominique ^{[3
]}

Gabel, Frank ^{[4
,5
]}

Guss, J. Mitchell ^{[1
]}

Hendrickson, Wayne A. ^{[6
]}

Hura, Greg L. ^{[7
]}

Jacques, David A. ^{[8
]}

Kirby, Nigel M. ^{[9
]}

Kwan, Ann H. ^{[1
]}

Perez, Javier ^{[10
]}

Pollack, Lois ^{[11
]}

Ryan, Timothy M. ^{[9
]}

Sali, Andrej ^{[12
,13
]}

Schneidman-Duhovny, Dina ^{[14
]}

Schwede, Torsten ^{[15
,16
]}

Svergun, Dmitri I. ^{[17
]}

Sugiyama, Masaaki ^{[18
]}

Tainer, John A. ^{[19
]}

Vachette, Patrice ^{[3
]}

Westbrook, John ^{[20
]}

Whitten, Andrew E. ^{[2
]}

机构：

[1] Univ Sydney, Sch Life & Environm Sci, Sydney, NSW 2006, Australia

[2] ANSTO, New Illawarra Rd, Menai, NSW 2234, Australia

[3] Univ Paris Sud, Inst Biol Integrat Cellule, UMR 9198, Batiment 430, F-91405 Orsay, France

[4] Univ Grenoble Alpes, CEA, CNRS, IBS, 71 Ave Martyrs, F-38000 Grenoble, France

[5] Inst Laue Langevin, 71 Ave Martyrs, F-38000 Grenoble, France

[6] Columbia Univ, Dept Biochem & Mol Biophys, New York, NY 10032 USA

[7] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging, Berkeley, CA 94720 USA

[8] Univ Technol Sydney, Ithree Inst, 15 Broadway, Ultimo, NSW 2007, Australia

[9] Australian Synchrotron, 800 Blackburn Rd, Clayton, Vic 3168, Australia

[10] Synchrotron SOLEIL, St Aubin BP48, F-91192 Gif Sur Yvette, France

[11] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA

[12] Univ Calif San Francisco, Dept Pharmaceut Chem, Dept Bioengn & Therapeut Sci, San Francisco, CA USA

[13] Univ Calif San Francisco, Calif Inst Quantitat Biosci QB3, San Francisco, CA 94143 USA

[14] Hebrew Univ Jerusalem, Inst Life Sci, Sch Comp Sci & Engn, IL-9190401 Jerusalem, Israel

[15] Univ Basel, Biozentrum, Basel, Switzerland

[16] SIB Swiss Inst Bioinformat, Basel, Switzerland

[17] DESY, European Mol Biol Lab EMBL Hamburg, Nokestr 85, D-22607 Hamburg, Germany

[18] Kyoto Univ, Res Reactor Inst, Osaka 5900494, Japan

[19] Univ Texas Houston, MD Anderson Canc Ctr, Bas Sci Res Div, Mol & Cellular Oncol, 1515 Holcombe Blvd, Houston, TX 77030 USA

[20] Rutgers State Univ, Dept Chem & Chem Biol, New Brunswick, NJ 07102 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2017年 / 73卷

关键词：

small-angle scattering; SAXS; SANS; biomolecular structure; proteins; DNA; RNA; structural modelling; hybrid structural modelling; publication guidelines; integrative structural biology; X-RAY-SCATTERING; NEUTRON-SCATTERING; BIOLOGICAL MACROMOLECULES; MOLECULAR-WEIGHT; QUATERNARY STRUCTURE; SAXS; PROTEINS; RESOLUTION; HYDRATION; CALMODULIN;

D O I：

10.1107/S2059798317011597

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：710 / 728

页数：19

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