5X24
Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.858, 141.777, 160.656 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.780 - 2.480 |
| R-factor | 0.23076 |
| Rwork | 0.229 |
| R-free | 0.27025 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r9o |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.490 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.780 | 2.545 |
| High resolution limit [Å] | 2.480 | 2.481 |
| Rmerge | 0.050 | 0.720 |
| Number of reflections | 30693 | 1907 |
| <I/σ(I)> | 55.2 | 3.2 |
| Completeness [%] | 98.4 | 88.21 |
| Redundancy | 11.3 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.8M ammonium sulfate, 0.1M BIS-TRIS pH 6.5 and 2% (v/v) Polyethylene glycol monomethyl ether 550 |
