1vcx

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spinqualitylabelsall models 1vcx, resolution 1.50Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Neutron Crystal Structure of the Wild Type Rubredoxin from Pyrococcus Furiosus at 1.5A Resolution

Overview

The structure of a partially deuterated rubredoxin from the, hyperthermophilic archaeon Pyrococcus furiosus, an organism that grows, optimally at 100 degrees C, was determined by using the neutron, single-crystal diffractometer dedicated for biological macromolecules, (BIX-3) at the JRR-3M reactor of the Japan Atomic Energy Research, Institute. Data were collected at room temperature up to a resolution of, 1.5 A, and the completeness factor of the data set was 81.9%. The model, contains 306 H and 50 D atoms. A total of 37 hydration water molecules, were identified, with 15 having all three atoms fully located and the, remaining D2O molecules partially defined. The model has been refined to, final agreement factors of R = 18.6% and Rfree = 21.7%. Several, orientations of the O-D bonds of side chains, whose assignments from x-ray, data were previously ambiguous, were clearly visible in the neutron, structure. Although most backbone N-H bonds had undergone some degree of, H/D exchange throughout the rubredoxin molecule, 5 H atom positions still, had distinctly negative (H) peaks. The neutron Fourier maps clearly showed, the details of an extensive set of H bonds involving the ND3+ terminus, that may contribute to the unusual thermostability of this molecule.

About this Structure

1VCX is a Single protein structure of sequence from Pyrococcus furiosus with FE and DOD as ligands. Full crystallographic information is available from OCA.

Reference

Neutron crystallographic study on rubredoxin from Pyrococcus furiosus by BIX-3, a single-crystal diffractometer for biomacromolecules., Kurihara K, Tanaka I, Chatake T, Adams MW, Jenney FE Jr, Moiseeva N, Bau R, Niimura N, Proc Natl Acad Sci U S A. 2004 Aug 3;101(31):11215-20. Epub 2004 Jul 22. PMID:15272083

Page seeded by OCA on Wed Nov 21 04:35:48 2007