6Z7R
Structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris hildenborough pressurized with Krypton gas - structure wtKr1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-27 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.125, 93.686, 98.433 |
| Unit cell angles | 90.00, 93.26, 90.00 |
Refinement procedure
| Resolution | 58.050 - 1.770 |
| R-factor | 0.1903 |
| Rwork | 0.188 |
| R-free | 0.24190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jsk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.335 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.800 | 1.920 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.104 | 0.791 |
| Rpim | 0.056 | 0.467 |
| Number of reflections | 101087 | 5055 |
| <I/σ(I)> | 9 | 1.6 |
| Completeness [%] | 75.6 | 17 |
| Redundancy | 4.3 | 3.7 |
| CC(1/2) | 0.997 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 20% PEG 1500 (w/v) and 0.1 mM Tris-HCl pH 7.6. |
