6FYJ
Cytochrome P450 peroxygenase CYP152K6 in complex with Myristic Acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.915 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.952, 71.173, 68.425 |
Unit cell angles | 90.00, 103.58, 90.00 |
Refinement procedure
Resolution | 56.140 - 1.300 |
R-factor | 0.1742 |
Rwork | 0.173 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1izo |
RMSD bond length | 0.014 |
RMSD bond angle | 1.336 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2880: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.140 | 56.140 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmeas | 0.043 | 1.500 |
Number of reflections | 105940 | |
<I/σ(I)> | 14.4 | 1 |
Completeness [%] | 99.0 | |
Redundancy | 2.9 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | Morpheus Screen condition A5 (Molecular Dimensions) |