4G47
Structure of cytochrome P450 CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)phenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-02 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 77.450, 77.450, 263.600 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.270 - 1.340 |
R-factor | 0.15596 |
Rwork | 0.155 |
R-free | 0.17703 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.030 |
RMSD bond angle | 3.136 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 33.270 |
High resolution limit [Å] | 1.340 |
Number of reflections | 97114 |
Completeness [%] | 95.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 2M ammonium sulphate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |