Small-angle scattering and 3D structure interpretation

[Display omitted] •Small-angle scattering (SAS) is a useful constraint in 3D biomolecular modelling.•SAS is especially useful for multi-modular and flexible systems.•Co-refinement of NMR and SAS data yields more accurate solution structures.•SAS data improve the results obtained with energy-minimiza...

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Bibliographic Details
Published in:Current opinion in structural biology 2016-10, Vol.40, p.1-7
Main Author: Trewhella, Jill
Format: Article
Language:English
Subjects:
Macromolecular Substances - chemistry
Magnetic Resonance Spectroscopy
Molecular Conformation
Neutron Diffraction
Scattering, Small Angle
X-Ray Diffraction
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Summary:[Display omitted] •Small-angle scattering (SAS) is a useful constraint in 3D biomolecular modelling.•SAS is especially useful for multi-modular and flexible systems.•Co-refinement of NMR and SAS data yields more accurate solution structures.•SAS data improve the results obtained with energy-minimization based docking.•Contrast variation with neutrons increases the discrimination power of SAS. This review focuses on advances in the application of solution small-angle scattering (SAS) in structural analysis of biomolecules and the complexes they form. Examples highlighted illustrate the unique contribution of SAS, using both X-rays and neutrons, in hybrid or integrative modelling methods. The increased information content when neutron scattering with contrast variation is used is a particular focus. Finally, progress toward an agreed reporting framework, the development of open data and model archives, and the importance of these initiatives is covered.
ISSN:0959-440X
1879-033X
DOI:10.1016/j.sbi.2016.05.003