5A5I
Cytochrome 2C9 P450 inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Temperature [K] | 100 |
| Spacegroup name | H 3 |
| Unit cell lengths | 92.217, 92.217, 170.414 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.630 - 2.000 |
| R-factor | 0.21409 |
| Rwork | 0.212 |
| R-free | 0.24501 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.900 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.080 |
| Number of reflections | 27322 |
| Completeness [%] | 94.7 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
