9RK0
W-formate dehydrogenase S194A from Nitratidesulfovibrio vulgaris (Desulfovibrio vulgaris)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-23 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.696, 123.840, 149.714 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.425 - 2.243 |
| Rwork | 0.216 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.262 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.425 | 2.280 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Number of reflections | 58277 | 2872 |
| <I/σ(I)> | 4.697 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.07 | |
| CC(1/2) | 0.983 | 0.304 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 28% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl |
