8BJ7
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Hinact-like state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-19 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.8266 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.328, 87.281, 88.977 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.528 - 1.040 |
| Rwork | 0.158 |
| R-free | 0.16710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sg2 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.144 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.528 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.119 | 2.447 |
| Number of reflections | 183605 | 8992 |
| <I/σ(I)> | 10.9 | 1.1 |
| Completeness [%] | 99.7 | |
| Redundancy | 13 | |
| CC(1/2) | 0.999 | 0.499 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 281.15 | 1 M Lithium chloride, 0.1 M Sodium acetate, 30 % Polyethylene glycol 4000 |
