9M47
Substrate Promiscuous Cytochrome P450 RufO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2021-11-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 76.750, 76.750, 135.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.750 - 2.700 |
| Rwork | 0.229 |
| R-free | 0.28240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.458 |
| Data reduction software | MOSFLM (7.4.0) |
| Data scaling software | SCALA (1.17.29) |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.750 | |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 11730 | |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 99.3 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.940 | 0.945 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Magnesium Chloride Hexahydrate, 0.1M Tris HCl (pH 8.25), 25% (W/V) PEG 3350 |
