3HF2
Crystal structure of the I401P mutant of cytochrome P450 BM3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-01-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.670, 145.843, 63.229 |
Unit cell angles | 90.00, 97.33, 90.00 |
Refinement procedure
Resolution | 45.480 - 2.200 |
R-factor | 0.18858 |
Rwork | 0.186 |
R-free | 0.24472 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bu7 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.586 |
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 | 0.059 | 0.284 |
Number of reflections | 52999 | |
<I/σ(I)> | 18.5 | 2.7 |
Completeness [%] | 99.2 | 94.1 |
Redundancy | 3.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 25% PEG 3350, 0.2M magnesium chloride, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289.0K |