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 |