3QM4
Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97945 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 194.540, 55.070, 145.870 |
| Unit cell angles | 90.00, 134.97, 90.00 |
Refinement procedure
| Resolution | 41.000 - 2.850 |
| R-factor | 0.245 |
| Rwork | 0.243 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f9q |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| 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] | 40.820 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.065 | 0.468 |
| Number of reflections | 25762 | |
| <I/σ(I)> | 8.6 | 1.6 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG-3350, ammonium sulphate, sodium cacodylate, potassium phosphate, NaCl, glycerol, beta-mercaptoethanol, prinomastat, HEGA-10, CHAPS, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
