4GQS
Structure of Human Microsomal Cytochrome P450 (CYP) 2C19
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.92014 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 159.189, 159.189, 450.027 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 79.600 - 2.870 |
| R-factor | 0.25 |
| Rwork | 0.250 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r9o |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.800 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.600 | 3.030 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.087 | 0.498 |
| Number of reflections | 50609 | |
| <I/σ(I)> | 3.4 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.8 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 20% PEG 2000, 10% isopropanol, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
