8S7R
Vanillyl-alcohol dehydrogenase from Marinicaulis flavus: P151T mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-18 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.949, 144.451, 286.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 143.390 - 1.900 |
| R-factor | 0.1958 |
| Rwork | 0.194 |
| R-free | 0.23456 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.351 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 286.790 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.066 | 1.253 |
| Rmeas | 0.077 | 1.457 |
| Rpim | 0.038 | 0.724 |
| Total number of observations | 545266 | 27438 |
| Number of reflections | 146187 | 7204 |
| <I/σ(I)> | 9.2 | 1.1 |
| Completeness [%] | 97.8 | |
| Redundancy | 3.7 | 3.8 |
| CC(1/2) | 0.991 | 0.423 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 293 | 0.2 M NaCl and 20% w/v PEG 3350 |
