4G46
Structure of cytochrome P450 CYP121 in complex with 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate
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 | 77.570, 77.570, 262.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.990 - 1.520 |
| R-factor | 0.14988 |
| Rwork | 0.149 |
| R-free | 0.17201 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.030 |
| RMSD bond angle | 3.123 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.990 |
| High resolution limit [Å] | 1.520 |
| Number of reflections | 66684 |
| Completeness [%] | 96.8 |
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 |
