2a5m

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{{STRUCTURE_2a5m| PDB=2a5m | SCENE= }}
{{STRUCTURE_2a5m| PDB=2a5m | SCENE= }}
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'''NMR structure of murine gamma-S crystallin from joint refinement with SAXS data'''
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===NMR structure of murine gamma-S crystallin from joint refinement with SAXS data===
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==Overview==
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Determination of the 3D structures of multidomain proteins by solution NMR methods presents a number of unique challenges related to their larger molecular size and the usual scarcity of constraints at the interdomain interface, often resulting in a decrease in structural accuracy. In this respect, experimental information from small-angle scattering of X-ray radiation in solution (SAXS) presents a suitable complement to the NMR data, as it provides an independent constraint on the overall molecular shape. A computational procedure is described that allows incorporation of such SAXS data into the mainstream high-resolution macromolecular structure refinement. The method is illustrated for a two-domain 177-amino-acid protein, gammaS crystallin, using an experimental SAXS data set fitted at resolutions from approximately 200 A to approximately 30 A. Inclusion of these data during structure refinement decreases the backbone coordinate root-mean-square difference between the derived model and the high-resolution crystal structure of a 54% homologous gammaB crystallin from 1.96 +/- 0.07 A to 1.31 +/- 0.04 A. Combining SAXS data with NMR restraints can be accomplished at a moderate computational expense and is expected to become useful for multidomain proteins, multimeric assemblies, and tight macromolecular complexes.
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{{ABSTRACT_PUBMED_16305251}}
==About this Structure==
==About this Structure==
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2A5M is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A5M OCA].
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2A5M is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A5M OCA].
==Reference==
==Reference==
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[[Category: Sax]]
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[[Category: Small-angle x-ray scattering]]
[[Category: Small-angle x-ray scattering]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 10:24:12 2008''

Revision as of 07:24, 28 July 2008

Image:2a5m.png

Template:STRUCTURE 2a5m

NMR structure of murine gamma-S crystallin from joint refinement with SAXS data

Template:ABSTRACT PUBMED 16305251

About this Structure

2A5M is a Single protein structure of sequence from Mus musculus. Full experimental information is available from OCA.

Reference

Refinement of multidomain protein structures by combination of solution small-angle X-ray scattering and NMR data., Grishaev A, Wu J, Trewhella J, Bax A, J Am Chem Soc. 2005 Nov 30;127(47):16621-8. PMID:16305251

Page seeded by OCA on Mon Jul 28 10:24:12 2008

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