8S7N
Vanillyl-alcohol dehydrogenase from Marinicaulis flavus: P151L mutant bound to eugenol
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 | 139.019, 139.019, 181.059 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.200 - 1.800 |
| R-factor | 0.15887 |
| Rwork | 0.158 |
| R-free | 0.18397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.705 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.194 | 3.735 |
| Rmeas | 0.201 | 3.882 |
| Rpim | 0.054 | 1.051 |
| Total number of observations | 107003 | |
| Number of reflections | 163464 | 8025 |
| <I/σ(I)> | 11 | 0.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.5 | 13.3 |
| CC(1/2) | 0.998 | 0.388 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | Condition C4 of the Morpheus screen (Hampton research) |
