8BQH
W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 1.5 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 | 2022-03-01 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.8856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.361, 127.456, 128.952 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.650 - 1.610 |
Rwork | 0.151 |
R-free | 0.17540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sdr |
RMSD bond length | 0.012 |
RMSD bond angle | 1.601 |
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] | 90.650 | 1.780 |
High resolution limit [Å] | 1.610 | 1.610 |
Number of reflections | 94816 | 4742 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 94.1 | |
Redundancy | 5.7 | |
CC(1/2) | 0.996 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 24% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl |