5X23
Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-13 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.952, 142.273, 161.831 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.510 - 2.000 |
| R-factor | 0.21923 |
| Rwork | 0.217 |
| R-free | 0.25308 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r9o |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.501 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.510 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.590 |
| Number of reflections | 58476 | 5733 |
| <I/σ(I)> | 32.2 | 2.4 |
| Completeness [%] | 99.1 | 98.6 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.5 M ammonium sulfate, 0.1 M Tris pH8.5, 12% glycerol |
