5MDJ
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in a its as-isolated high-pressurized form
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 | 2016-06-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.395, 95.696, 121.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.850 - 1.480 |
| R-factor | 0.14398 |
| Rwork | 0.142 |
| R-free | 0.17234 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4IUB/4TTT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.357 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.850 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.064 | 0.839 |
| Number of reflections | 142561 | |
| <I/σ(I)> | 12.5 | 2 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 5.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 20-30%PEG3350, 0.1M BIS-TRIS ph 5.5-6.5 |
