4RM4
The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.996, 67.573, 56.406 |
| Unit cell angles | 90.00, 113.04, 90.00 |
Refinement procedure
| Resolution | 27.939 - 1.771 |
| R-factor | 0.2046 |
| Rwork | 0.202 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2whw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.068 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.037 | 0.229 |
| Number of reflections | 31135 | |
| <I/σ(I)> | 21.7 | 3.65 |
| Completeness [%] | 85.2 | 93.7 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 289 | 16% w/v PEG 1000, 10% w/v PEG 8000, 0.625% w/v PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
