8S7S
Vanillyl-alcohol dehydrogenase from Marinicaulis flavus: P151G 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 | 2023-03-31 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.967700 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.804, 144.145, 289.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.600 - 2.500 |
| R-factor | 0.19494 |
| Rwork | 0.192 |
| R-free | 0.25173 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.515 |
| 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] | 64.600 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.202 | 3.274 |
| Rmeas | 0.207 | 3.346 |
| Rpim | 0.043 | 0.686 |
| Total number of observations | 103437 | |
| Number of reflections | 66056 | 4381 |
| <I/σ(I)> | 12.5 | 1.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 22.8 | 23.6 |
| CC(1/2) | 0.997 | 0.605 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | G4 condition of the morpheus crystal screen by Hampton Research |
