Reliable structural interpretation of small-angle scattering data from bio-molecules in solution - the importance of quality control and a standard reporting framework

BMC Structural Biology

Jill Trewhella¹  Jules Mitchell Guss¹  David A Jacques¹ 

[1] School of Molecular Bioscience Building, University of Sydney, G08 Butlin Avenue, Sydney, NSW, 2006, Australia

关键词: Quality control;    Standards;    Reporting framework;    Protein structure;    Small-angle scattering;   

Others  :  1127629
DOI  :  10.1186/1472-6807-12-9

 received in 2012-04-03, accepted in 2012-05-17,  发布年份 2012

【 摘 要 】

Small-angle scattering is becoming an increasingly popular tool for the study of bio-molecular structures in solution. The large number of publications with 3D-structural models generated from small-angle solution scattering data has led to a growing consensus for the need to establish a standard reporting framework for their publication. The International Union of Crystallography recently established a set of guidelines for the necessary information required for the publication of such structural models. Here we describe the rationale for these guidelines and the importance of standardising the way in which small-angle scattering data from bio-molecules and associated structural interpretations are reported.

【 授权许可】

   
2012 Jacques et al.; licensee BioMed Central Ltd.

【 参考文献 】

• [1]Guinier A: The diffusion of x-rays under the extremely weak angles applied to the study of fine particles and colloidal suspension. Comptes Rendus Hebdomadaires Des Seances De L Academie Des Sciences 1938, 206:1374-1376.
• [2]Guinier A, Fournet G: Small-angle scattering of X-rays. Wiley, New York; 1955.
• [3]Mertens HD, Svergun DI: Structural characterization of proteins and complexes using small-angle X-ray solution scattering. J Struct Biol 2010, 172(1):128-141.
• [4]Jacques DA, Trewhella J: Small-angle scattering for structural biology–expanding the frontier while avoiding the pitfalls. Protein Sci 2010, 19(4):642-657.
• [5]Jacques DA, Guss JM, Svergun DI, Trewhella J: Publication requirements for structural modelling of small-angle scattering data from biomolecules in solution. Acta Crystallogr D Biol Crystallogr 2012, 68(6):620-626.
• [6]Putnam CD, Hammel M, Hura GL, Tainer JA: X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in solution. Q Rev Biophys 2007, 40(3):191-285.