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| [[Image:2a5m.gif|left|200px]] | | {{Seed}} |
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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'''
| | ===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.
| | The line below this paragraph, {{ABSTRACT_PUBMED_16305251}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 16305251 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_16305251}} |
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| ==About this Structure== | | ==About this Structure== |
| 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]. | | 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]. |
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| ==Reference== | | ==Reference== |
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| [[Category: Sax]] | | [[Category: Sax]] |
| [[Category: Small-angle x-ray scattering]] | | [[Category: Small-angle x-ray scattering]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 18:38:22 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 10:24:12 2008'' |
