8VZ7
Crystal Structure of Human Cytochrome P450 2C9*27 (R150L) 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 | 2021-05-29 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.97 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.890, 142.170, 163.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.530 |
R-factor | 0.15423 |
Rwork | 0.151 |
R-free | 0.21531 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 2.052 |
Data reduction software | iMOSFLM |
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 | 2.600 |
High resolution limit [Å] | 2.530 | 2.530 |
Rpim | 0.038 | 0.121 |
Number of reflections | 29365 | 2072 |
<I/σ(I)> | 12.8 | 5.2 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.8 | |
CC(1/2) | 0.996 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.3M Sodium Acetate Trihydrate 0.1 M Tris pH 7.5 25% w/v PEG 2000 MME |