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 |