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| - | [[Image:8rxn.jpg|left|200px]] | + | {{Seed}} |
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| | {{STRUCTURE_8rxn| PDB=8rxn | SCENE= }} | | {{STRUCTURE_8rxn| PDB=8rxn | SCENE= }} |
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| - | '''REFINEMENT OF RUBREDOXIN FROM DESULFOVIBRIO VULGARIS AT 1.0 ANGSTROMS WITH AND WITHOUT RESTRAINTS'''
| + | ===REFINEMENT OF RUBREDOXIN FROM DESULFOVIBRIO VULGARIS AT 1.0 ANGSTROMS WITH AND WITHOUT RESTRAINTS=== |
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| - | ==Overview==
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| - | X-ray data have been recorded from crystals of rubredoxin derived from the bacterium Desulfovibrio vulgaris to a resolution of 1.0 A using in part synchrotron radiation and in part X-rays from a sealed-tube Mo K alpha source. In both cases an imaging-plate scanner was used as detector. The space group of the crystals is P2(1) with cell dimensions a = 19.97, b = 41.45, c = 24.41 A and beta = 108.3 degrees. The overall merging R(I) factor between symmetry-related reflections was 5.8%. The model was refined by least-squares minimization initially with stereochemical restraints to an R factor of 16.4%. Only atomic positional parameters and isotropic temperature factors for non-H atoms were used in the refinement. There were 18,532 independent X-ray observations for a total of 1916 atomic parameters. A round of unrestrained refinement gave an R factor of 16.0%, acceptable geometry for more than 90% of the protein atoms, but emphasized the disorder inherent in eight of the residues. A final round of restrained refinement gave an R factor of 14.7%. Three of the 389 protein atoms in the molecule, in the side chain of Lys2, have been assigned zero occupancy in the model. A total of eight atoms in three side chains have been assigned two conformations, giving 393 protein atomic sites in the model. In addition there is one Fe atom, a sulfate ion and 102 water sites. 339 H atoms were included at their calculated positions, which were not refined. There is clear evidence for anisotropic thermal motion. This has not been incorporated in the present model.
| + | The line below this paragraph, {{ABSTRACT_PUBMED_1616692}}, adds the Publication Abstract to the page |
| | + | (as it appears on PubMed at http://www.pubmed.gov), where 1616692 is the PubMed ID number. |
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| | + | {{ABSTRACT_PUBMED_1616692}} |
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| | ==About this Structure== | | ==About this Structure== |
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| | [[Category: Sieker, L.]] | | [[Category: Sieker, L.]] |
| | [[Category: Wilson, K.]] | | [[Category: Wilson, K.]] |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:51:57 2008'' | + | |
| | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Jul 11 12:54:20 2008'' |
Revision as of 09:54, 11 July 2008
Template:STRUCTURE 8rxn
REFINEMENT OF RUBREDOXIN FROM DESULFOVIBRIO VULGARIS AT 1.0 ANGSTROMS WITH AND WITHOUT RESTRAINTS
Template:ABSTRACT PUBMED 1616692
About this Structure
8RXN is a Single protein structure of sequence from Desulfovibrio vulgaris. Full crystallographic information is available from OCA.
Reference
Refinement of rubredoxin from Desulfovibrio vulgaris at 1.0 A with and without restraints., Dauter Z, Sieker LC, Wilson KS, Acta Crystallogr B. 1992 Feb 1;48 ( Pt 1):42-59. PMID:1616692
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