8POU
Crystal Structure of the C19G/C120G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.65 A Resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976250 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.231, 95.740, 120.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.920 - 1.650 |
| R-factor | 0.13323 |
| Rwork | 0.132 |
| R-free | 0.16127 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.178 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.920 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 101451 | 16026 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.8 | |
| CC(1/2) | 0.990 | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 277 | 20% - 30% PEG3350, 0.1M BIS-TRIS PH 5.5 |
