3M4V
Crystal structure of the A330P 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 | 58.542, 148.281, 64.368 |
| Unit cell angles | 90.00, 99.93, 90.00 |
Refinement procedure
| Resolution | 48.190 - 1.900 |
| R-factor | 0.18902 |
| Rwork | 0.187 |
| R-free | 0.23174 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bu7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.222 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.032 | 0.185 |
| Number of reflections | 83306 | |
| <I/σ(I)> | 37.1 | 5.7 |
| Completeness [%] | 98.2 | 96 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 289 | 0.1M Tris, 0.2M magnesium chloride, 24% PEG 3350, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
