8CM4
W-formate dehydrogenase C872A from Desulfovibrio vulgaris - exposed to oxygen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979181 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.299, 126.897, 260.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.312 - 2.300 |
| Rwork | 0.200 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sdr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.399 |
| 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] | 148.120 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 108727 | 4478 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 99.5 | |
| Redundancy | 4.5 | |
| CC(1/2) | 0.990 | 0.698 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG 3350 (w/v), 0.1 M Tris-HCl pH 8.5 and 0.2 M CaCl2 |
