8POW
Crystal Structure of the C19G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.61 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 | 2013-01-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.526, 95.523, 118.868 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.010 - 1.610 |
| R-factor | 0.13843 |
| Rwork | 0.137 |
| R-free | 0.16320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.254 |
| 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] | 46.010 | 1.700 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.099 | 0.681 |
| Number of reflections | 107311 | 16662 |
| <I/σ(I)> | 8.7 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.5 | 5.5 |
| CC(1/2) | 1.000 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 277 | 20% - 30% PEG3350, 0.1M BIS-TRIS PH 5.5 |
