5OMU
Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with syringol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.360, 105.360, 113.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.567 - 1.950 |
R-factor | 0.1497 |
Rwork | 0.148 |
R-free | 0.17760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 2.230 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.080 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.045 | 0.800 |
Rpim | 0.020 | 0.347 |
Number of reflections | 47054 | 3384 |
<I/σ(I)> | 26.2 | 3.3 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 11.6 | 11.9 |
CC(1/2) | 1.000 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 2.4M sodium malonate, 0.2M syringol |