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 |
