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 |