7KVH
Human CYP3A4 bound to an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2020-05-19 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.944, 94.815, 93.174 |
| Unit cell angles | 90.00, 123.73, 90.00 |
Refinement procedure
| Resolution | 39.550 - 2.791 |
| R-factor | 0.2408 |
| Rwork | 0.238 |
| R-free | 0.27750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vcc |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.490 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.550 | 2.940 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Number of reflections | 27176 | 3895 |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 98.3 | 96.9 |
| Redundancy | 6.2 | 6 |
| CC(1/2) | 0.993 | 0.489 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG 3350, succinate |
