4D6Z
Cytochrome P450 3A4 bound to imidazole and an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2014-01-11 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 77.050, 99.400, 133.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.492 - 1.930 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i3q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.255 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.060 | 0.530 |
| Number of reflections | 38419 | |
| <I/σ(I)> | 11 | 2.2 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | CONDITION A3 FROM THE MORPHEUS CRYSTALLIZATION KIT (MOLECULAR DIMENSIONS), pH 7 |
