1OG2
Structure of human cytochrome P450 CYP2C9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 164.870, 164.870, 111.105 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 2.600 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dt6 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.760 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.087 | 0.570 |
| Total number of observations | 340743 * | |
| Number of reflections | 51912 | |
| <I/σ(I)> | 6.8 | 1.21 |
| Completeness [%] | 96.5 | 96.5 |
| Redundancy | 2.6 | 2.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 25 * | pH 8.40 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 40 (mg/ml) | |
| 10 | 1 | reservoir | glycerol | 10 (%(v/v)) | |
| 2 | 1 | drop | potassium phosphate | 10 (mM) | pH7.4 |
| 3 | 1 | drop | 0.5 (M) | ||
| 4 | 1 | drop | glycerol | 20 (%(v/v)) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | drop | dithiothreitol | 2 (mM) | |
| 7 | 1 | reservoir | Tris | 0.1 (M) | pH8.4 |
| 8 | 1 | reservoir | PEG400 | 15-25 (%(v/v)) | |
| 9 | 1 | reservoir | PEG8000 | 5-12.5 (%(w/v)) |
