7UFF
Human CYP3A4 bound to an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-16 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.618, 97.879, 95.149 |
| Unit cell angles | 90.00, 125.20, 90.00 |
Refinement procedure
| Resolution | 47.540 - 2.700 |
| R-factor | 0.2454 |
| Rwork | 0.244 |
| R-free | 0.28110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kvh molecule A |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.511 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.750 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.115 | 1.774 |
| Rpim | 0.050 | 0.818 |
| Number of reflections | 30683 | 4113 |
| <I/σ(I)> | 8.5 | 1 |
| Completeness [%] | 95.1 | 88.6 |
| Redundancy | 6 | |
| CC(1/2) | 0.997 | 0.405 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 298 | PEG 3350, sodium succinate pH 7.0 |
