7WMD
PQQ-dependent alcohol dehydrogenase detoxifying DON
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978530 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.539, 90.536, 57.294 |
Unit cell angles | 90.00, 103.81, 90.00 |
Refinement procedure
Resolution | 40.430 - 2.000 |
R-factor | 0.1705 |
Rwork | 0.168 |
R-free | 0.21670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cvb |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.430 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 37502 | 5902 |
<I/σ(I)> | 15.33 | 5.41 |
Completeness [%] | 99.0 | 97 |
Redundancy | 6.63 | |
CC(1/2) | 0.997 | 0.942 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 0.2M Magnesium chloride hexahydrate, 0.1M BIS-Tris pH 5.5, 25% w/v polyethylene glycol 3350 |