3LXH
Crystal Structure of Cytochrome P450 CYP101D1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 150.902, 150.902, 195.318 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.400 - 2.200 |
| R-factor | 0.20166 |
| Rwork | 0.200 |
| R-free | 0.23988 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cpp |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.784 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.444 |
| Number of reflections | 66042 | |
| <I/σ(I)> | 24.5 | 2 |
| Completeness [%] | 98.5 | 86.9 |
| Redundancy | 9.9 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 291 | 0.1M Tris, pH 8.2, 12% 1,4-dioxane, 1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
