2F9Q
Crystal Structure of Human Cytochrome P450 2D6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9538 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 145.066, 155.495, 95.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 106.000 - 3.002 |
| R-factor | 0.23198 |
| Rwork | 0.230 |
| R-free | 0.28607 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.647 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 39448 | |
| Completeness [%] | 90.0 | 90.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 5.6 | 293 | 1.5M ammonium sulphate, 0.1M sodium citrate, 0.2M potassium sodium tartrate, pH 5.6, LIQUID DIFFUSION, temperature 293K |
