2VN0
CYP2C8DH COMPLEXED WITH TROGLITAZONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-12 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.200, 136.090, 163.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.880 - 2.700 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pq2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.060 | 0.520 |
| Number of reflections | 23135 | |
| <I/σ(I)> | 7.5 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.9 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | PEG 3350, HEPES, LISO4, MEOH, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
