4TTT
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 3
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 | 2013-02-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.968630 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.774, 95.570, 119.228 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.830 - 1.720 |
| R-factor | 0.13554 |
| Rwork | 0.134 |
| R-free | 0.16458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rgw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.155 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.780 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Number of reflections | 84252 | |
| <I/σ(I)> | 9.3 | 2.6 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 282 | 20-30% PEG3350, 100 mM Bis-Tris |
