4C3O
Structure and function of an oxygen tolerant NiFe hydrogenase from Salmonella
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-19 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 115.460, 122.210, 227.820 |
| Unit cell angles | 90.00, 95.56, 90.00 |
Refinement procedure
| Resolution | 29.520 - 3.200 |
| R-factor | 0.1605 |
| Rwork | 0.158 |
| R-free | 0.20467 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rgw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.545 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 3.380 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.100 | 0.580 |
| Number of reflections | 51795 | |
| <I/σ(I)> | 9.7 | 1.8 |
| Completeness [%] | 99.6 | 98.6 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
