22VI
PQQ-dependent alcohol dehydrogenase detoxifying DON
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.038, 57.565, 111.506 |
| Unit cell angles | 90.00, 96.71, 90.00 |
Refinement procedure
| Resolution | 44.330 - 1.920 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.933 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (2.0_5936) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.080 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 83287 | 5596 |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 99.1 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.984 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | PEG3350 |
