5XMJ
Crystal structure of quinol:fumarate reductase from Desulfovibrio gigas
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-24 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 112.136, 131.772, 195.428 |
Unit cell angles | 90.00, 94.22, 90.00 |
Refinement procedure
Resolution | 29.804 - 3.600 |
R-factor | 0.2358 |
Rwork | 0.232 |
R-free | 0.31260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bs2 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.791 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.804 | 3.728 |
High resolution limit [Å] | 3.600 | 3.600 |
Number of reflections | 64730 | |
<I/σ(I)> | 10.1 | |
Completeness [%] | 98.0 | |
Redundancy | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1% DDM, 100 mM NaCl, 28% PEG 8000, Tris buffer, 100 mM, pH 8.5, 291K |