9FGE
Vanillyl alcohol oxidase from Novosphingobium sp: T181D mutant in complex with vanillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-21 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 91.326, 97.824, 129.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.200 - 1.600 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20382 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.709 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.200 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.150 | 1.476 |
| Rmeas | 0.158 | 1.562 |
| Rpim | 0.051 | 0.504 |
| Total number of observations | 67952 | |
| Number of reflections | 152440 | 7444 |
| <I/σ(I)> | 8.8 | 1.6 |
| Completeness [%] | 99.6 | |
| Redundancy | 9.3 | 9.1 |
| CC(1/2) | 0.998 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 293.5 | PEG 20000 15%, 0.1 M MES |
