5A1P
Crystal structure of cytochrome P450 3A4 bound to progesterone and citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 108 |
| Detector technology | CCD |
| Collection date | 2013-12-02 |
| Detector | MARRESEARCH |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 77.340, 102.170, 125.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.670 - 2.500 |
| R-factor | 0.195 |
| Rwork | 0.191 |
| R-free | 0.27790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tqn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.610 |
| 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] | 65.850 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.680 |
| Number of reflections | 16864 | |
| <I/σ(I)> | 8.2 | 1.8 |
| Completeness [%] | 96.5 | 97.7 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | 6% PEG 3350, 20 MM BIS-TRIS PROPANE PH 6.4, 12 MM AMMONIUM CITRATE, 5% GLYCEROL |
