4UQU
Crystal structure of the tetrachloroethene reductive dehalogenase from Sulfurospirillum multivorans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 41 |
| Unit cell lengths | 73.143, 73.143, 183.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.861 - 1.595 |
| R-factor | 0.1533 |
| Rwork | 0.152 |
| R-free | 0.18300 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.151 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 1.650 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.110 | 0.980 |
| Number of reflections | 138075 | |
| <I/σ(I)> | 15.7 | 1.95 |
| Completeness [%] | 99.6 | 96 |
| Redundancy | 12.5 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | VAPOUR DIFFUSION UNDER ANAEROBIC CONDITIONS (95% N2 / 5% H2) 50 MM TRIS-HCL PH 8.0, 15% PEG 3350, 0.2 M NAMALONATE, 2 % BENZAMIDINE |
