8BQI
W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 3 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 | 64.992, 123.751, 150.358 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.733 - 2.356 |
Rwork | 0.213 |
R-free | 0.24770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sdr |
RMSD bond length | 0.003 |
RMSD bond angle | 1.282 |
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] | 150.360 | 2.430 |
High resolution limit [Å] | 2.356 | 2.356 |
Number of reflections | 49978 | 4238 |
<I/σ(I)> | 9 | |
Completeness [%] | 98.3 | |
Redundancy | 4.8 | |
CC(1/2) | 0.992 | 0.409 |
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 |