4k9f

Neutron structure of Perdeuterated Rubredoxin refined against 1.75 resolution data collected on the new IMAGINE instrument at HFIR, ORNL

spinqualitylabelsall models 4k9f, resolution 1.75Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4k9f is a 1 chain structure with sequence from Pyrococcus furiosus DSM 3638. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: Neutron Diffraction, Resolution 1.75Å Ligands: DOD, FE Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function RUBR_PYRFU Rubredoxin is a small nonheme, iron protein lacking acid-labile sulfide. Its single Fe, chelated to 4 Cys, functions as an electron acceptor and may also stabilize the conformation of the molecule. Publication Abstract from PubMed The first high-resolution neutron protein structure of perdeuterated rubredoxin from Pyrococcus furiosus (PfRd) determined using the new IMAGINE macromolecular neutron crystallography instrument at the Oak Ridge National Laboratory is reported. Neutron diffraction data extending to 1.65 A resolution were collected from a relatively small 0.7 mm(3) PfRd crystal using 2.5 d (60 h) of beam time. The refined structure contains 371 out of 391, or 95%, of the D atoms of the protein and 58 solvent molecules. The IMAGINE instrument is designed to provide neutron data at or near atomic resolution (1.5 A) from crystals with volume <1.0 mm(3) and with unit-cell edges <100 A. Beamline features include novel elliptical focusing mirrors that deliver neutrons into a 2.0 x 3.2 mm focal spot at the sample position with full-width vertical and horizontal divergences of 0.5 and 0.6 degrees , respectively. Variable short- and long-wavelength cutoff optics provide automated exchange between multiple-wavelength configurations (lambdamin = 2.0, 2.8, 3.3 A to lambdamax = 3.0, 4.0, 4.5, approximately 20 A). These optics produce a more than 20-fold increase in the flux density at the sample and should help to enable more routine collection of high-resolution data from submillimetre-cubed crystals. Notably, the crystal used to collect these PfRd data was 5-10 times smaller than those previously reported. The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography.,Meilleur F, Munshi P, Robertson L, Stoica AD, Crow L, Kovalevsky A, Koritsanszky T, Chakoumakos BC, Blessing R, Myles DA Acta Crystallogr D Biol Crystallogr. 2013 Oct;69(Pt 10):2157-60. doi:, 10.1107/S0907444913019604. Epub 2013 Sep 20. PMID:24100333 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Rubredoxin 3D structures Rubredoxin PDB structures

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