8BQK
W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 22 min
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-03 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.7749 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.684, 123.874, 149.181 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.484 - 1.587 |
Rwork | 0.170 |
R-free | 0.19230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sdr |
RMSD bond length | 0.007 |
RMSD bond angle | 1.387 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.484 | 1.700 |
High resolution limit [Å] | 1.587 | 1.587 |
Rmerge | 0.077 | |
Number of reflections | 1299786 | 6489 |
<I/σ(I)> | 11.336 | |
Completeness [%] | 92.3 | |
Redundancy | 4.68 | |
CC(1/2) | 0.998 | 0.579 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 22% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl |