9GZ0
FeFe Hydrogenase from Desulfovibrio desulfuricans labelled with cyanophenylalanine - oxidised state
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 | 2022-07-10 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.02 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.739, 87.834, 89.861 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.930 - 1.020 |
| R-factor | 0.1435 |
| Rwork | 0.142 |
| R-free | 0.16550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.331 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.800 | 1.040 |
| High resolution limit [Å] | 1.020 | 1.020 |
| Rmerge | 0.130 | 3.600 |
| Rpim | 0.026 | 0.710 |
| Number of reflections | 200276 | 9779 |
| <I/σ(I)> | 12.5 | 0.5 |
| Completeness [%] | 99.9 | 98.3 |
| Redundancy | 26.7 | 26.7 |
| CC(1/2) | 0.999 | 0.377 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 296 | 0.9 M LiSO4 100 mM Na Acetate 24-30% PEG 6000 |
