7YWV
Eugenol oxidase from rhodococcus jostii: mutant S81H, D151E, A423M, H434Y, S394V, Q425S, I445D, S518P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-30 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 114.191, 142.402, 288.521 |
| Unit cell angles | 90.00, 100.41, 90.00 |
Refinement procedure
| Resolution | 49.300 - 2.400 |
| R-factor | 0.2243 |
| Rwork | 0.222 |
| R-free | 0.26160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fxd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.435 |
| 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] | 49.300 | 49.380 | 2.440 |
| High resolution limit [Å] | 2.400 | 13.150 | 2.400 |
| Rmerge | 0.129 | 0.028 | 1.264 |
| Rmeas | 0.156 | 0.035 | 1.514 |
| Rpim | 0.087 | 0.020 | 0.823 |
| Total number of observations | 3016 | 28259 | |
| Number of reflections | 175685 | 1054 | 8717 |
| <I/σ(I)> | 7.8 | 30.8 | 1.1 |
| Completeness [%] | 99.3 | 93.6 | 100 |
| Redundancy | 3.1 | 2.9 | 3.2 |
| CC(1/2) | 0.992 | 0.997 | 0.466 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.06 M of MgCl 2/CaCl 2, 0.1 M Sodium Hepes/MOPS (acid), 20% Ethylene glycol, 20% PEG 8000. |
