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 |
