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8rxn

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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'''
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===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.
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{{ABSTRACT_PUBMED_1616692}}
==About this Structure==
==About this Structure==
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[[Category: Sieker, L.]]
[[Category: Sieker, L.]]
[[Category: Wilson, K.]]
[[Category: Wilson, K.]]
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''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

Image:8rxn.png

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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