3OFU
Crystal Structure of Cytochrome P450 CYP101C1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-09-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.360, 113.418, 150.234 |
| Unit cell angles | 90.00, 89.90, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.19824 |
| Rwork | 0.193 |
| R-free | 0.30263 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h7r |
| RMSD bond length | 0.036 |
| RMSD bond angle | 2.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 150.760 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.171 | 0.519 |
| Number of reflections | 53086 | |
| <I/σ(I)> | 13.2 | 3.78 |
| Completeness [%] | 94.8 | 99 |
| Redundancy | 5.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 289 | 0.1M Bis-Tris, pH 5.0, 30% w/v polyethylene glycol monomethyl ether 2000, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
