8S1J
Crystal structure of t-anethole oxygenase from Stenotrophomonas maltophilia
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-04 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.254, 96.135, 78.311 |
| Unit cell angles | 90.00, 108.66, 90.00 |
Refinement procedure
| Resolution | 58.800 - 1.830 |
| R-factor | 0.19357 |
| Rwork | 0.192 |
| R-free | 0.22782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.563 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.800 | 1.940 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.136 | 1.254 |
| Rpim | 0.620 | |
| Number of reflections | 52522 | 2626 |
| <I/σ(I)> | 6.8 | 1.3 |
| Completeness [%] | 91.5 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.987 | 0.580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M magnesium chloride, 0.1 M bis-tris propane, 25 % PEG3350 |
