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 |
