6VLT
Crystal Structure of Human P450 2C9*2 Genetic Variant 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 | 2018-06-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 31 |
| Unit cell lengths | 238.100, 238.100, 109.851 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.010 - 3.120 |
| R-factor | 0.1588 |
| Rwork | 0.156 |
| R-free | 0.22110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1OG |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.856 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 3.290 |
| High resolution limit [Å] | 3.120 | 3.120 |
| Rmeas | 0.367 | |
| Rpim | 0.127 | 1.200 |
| Number of reflections | 122890 | 17998 |
| <I/σ(I)> | 8.1 | 2.5 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 8.1 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1M Lithium sulfate monohydrate, 0.1M Sodium citrate tribasic dehydrate pH 5.5, 20% w/v Polyethylene glycol 1000 |
