8S7T
Vanillyl-alcohol dehydrogenase from Marinicaulis flavus: P151N 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 | 2022-06-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.999870 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.525, 142.426, 286.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 143.220 - 2.100 |
| R-factor | 0.18655 |
| Rwork | 0.184 |
| R-free | 0.23168 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.369 |
| 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] | 143.220 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.139 | 2.349 |
| Rmeas | 0.143 | 2.407 |
| Rpim | 0.032 | 0.526 |
| Total number of observations | 2145888 | 107932 |
| Number of reflections | 106762 | 5214 |
| <I/σ(I)> | 14.3 | 1.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.1 | 20.7 |
| CC(1/2) | 0.999 | 0.553 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 0.2 M NaCl and 20% w/v PEG 3350 |
