1nkd
From Proteopedia
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ATOMIC RESOLUTION (1.07 ANGSTROMS) STRUCTURE OF THE ROP MUTANT <2AA>
Overview
The crystal structure of a designed variant of the ColE1 repressor of, primer (ROP) protein has been refined with SHELXL93 to a resolution of, 1.09 A. The final model with 510 non-H protein atoms, 576 H atoms in, calculated positions and 114 water molecules converged to a standard R, factor of 10% using unrestrained blocked full-matrix refinement. For all, non-H atoms six-parameter anisotropic thermal parameters have been, refined. The majority of atomic vibrations have a preferred orientation, which is approximately perpendicular to the bundle axis; analysis with the, TLS method [Schomaker & Trueblood (1968). Acta Cryst. B24, 63-77] showed a, relatively good agreement between the individual atomic displacements and, a rigid-body motion of the protein. Disordered residues with multiple, conformations form clusters on the surface of the protein; six C-terminal, residues have been omitted from the refined model due to disorder. Part of, the solvent structure forms pentagonal or hexagonal clusters which bridge, neighbouring protein molecules. Some water molecules are also conserved in, wild-type ROP. The unrestrained blocked full-matrix least-squares, refinement yielded reliable estimates of the standard deviations of the, refined parameters. Comparison of these parameters with the stereochemical, restraints used in various protein refinement programs showed, statistically significant differences. These restraints should be adapted, to the refinement of macromolecules by taking into account parameters, determined from atomic resolution protein structures.
About this Structure
1NKD is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.
Reference
Structural parameters for proteins derived from the atomic resolution (1.09 A) structure of a designed variant of the ColE1 ROP protein., Vlassi M, Dauter Z, Wilson KS, Kokkinidis M, Acta Crystallogr D Biol Crystallogr. 1998 Nov 1;54(Pt 6 Pt 2):1245-60. PMID:10089502
Page seeded by OCA on Tue Nov 20 22:19:55 2007
