8S7U
Vanillyl-alcohol dehydrogenase from Marinicaulis flavus: P151L mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999990 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 138.495, 138.495, 180.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.310 - 1.800 |
| R-factor | 0.1559 |
| Rwork | 0.155 |
| R-free | 0.18005 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.729 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.970 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.146 | 2.885 |
| Rmeas | 0.152 | 3.000 |
| Rpim | 0.041 | 0.816 |
| Total number of observations | 2179134 | 106435 |
| Number of reflections | 161652 | 7961 |
| <I/σ(I)> | 11.8 | 0.9 |
| Completeness [%] | 99.7 | |
| Redundancy | 13.5 | 13.4 |
| CC(1/2) | 0.999 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | Condition C4 of Morpheus screening from Hampton Research |
