8VX0
CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH 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 | 2021-05-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 75.209, 141.659, 161.879 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 3.050 |
| R-factor | 0.1422 |
| Rwork | 0.139 |
| R-free | 0.20586 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.179 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 3.129 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rpim | 0.059 | 0.075 |
| Number of reflections | 15658 | 1106 |
| <I/σ(I)> | 11.3 | 7.5 |
| Completeness [%] | 97.7 | 95.28 |
| Redundancy | 7.9 | |
| CC(1/2) | 0.980 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M Calcium acetate hydrate 0.1 M Tris, pH 7.5 15% w/v PEG4000 |
