7RL2
Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 75.000, 143.211, 163.821 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.610 - 2.230 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1og2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.206 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.270 | 2.350 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.128 | 1.734 |
| Number of reflections | 42981 | 42981 |
| <I/σ(I)> | 8.6 | 1.7 |
| Completeness [%] | 98.6 | 99.3 |
| Redundancy | 7.4 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 0.1 M HEPES pH 7.5, 30% w/v Polyethylene glycol 1000 |
