3PSX
Crystal structure of the KT2 mutant of cytochrome P450 BM3
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 1 21 1 |
Unit cell lengths | 58.856, 146.101, 63.650 |
Unit cell angles | 90.00, 97.27, 90.00 |
Refinement procedure
Resolution | 47.770 - 1.900 |
R-factor | 0.17762 |
Rwork | 0.175 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bu7 |
RMSD bond length | 0.024 |
RMSD bond angle | 1.935 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.045 | 0.261 |
Number of reflections | 83502 | |
<I/σ(I)> | 31.4 | 4.3 |
Completeness [%] | 99.9 | 99 |
Redundancy | 5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.1M Tris, pH 8.0, 0.2M magnesium chloride, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K |