7YWU
Eugenol oxidase from rhodococcus jostii: mutant S81H, A423M, H434Y, S394V, I445D, S518P
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 | 2021-01-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 149.641, 79.429, 189.180 |
| Unit cell angles | 90.00, 96.25, 90.00 |
Refinement procedure
| Resolution | 49.340 - 2.800 |
| R-factor | 0.2299 |
| Rwork | 0.227 |
| R-free | 0.27440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fxd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.525 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.580 | 49.580 | 2.850 |
| High resolution limit [Å] | 2.800 | 15.340 | 2.800 |
| Rmerge | 0.166 | 0.055 | 1.099 |
| Rmeas | 0.195 | 0.068 | 1.289 |
| Rpim | 0.103 | 0.041 | 0.667 |
| Total number of observations | 377956 | ||
| Number of reflections | 106726 | 689 | 5326 |
| <I/σ(I)> | 6.6 | 1.3 | |
| Completeness [%] | 97.8 | 94.7 | 98.8 |
| Redundancy | 3.5 | 3.2 | 3.7 |
| CC(1/2) | 0.974 | 0.857 | 0.468 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M MgCl 2 , 0.1 M Tris pH 8.5, 3.4 M 1,6-Hexandiol. |
