3OFT
Crystal Structure of Cytochrome P450 CYP101C1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-01 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.986, 150.148, 68.454 |
| Unit cell angles | 90.00, 99.89, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.17674 |
| Rwork | 0.174 |
| R-free | 0.23159 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h7r |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.619 |
| 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] | 75.160 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.111 | 0.460 |
| Number of reflections | 85083 | |
| <I/σ(I)> | 43.5 | 9.23 |
| Completeness [%] | 94.6 | 100 |
| Redundancy | 7.6 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 289 | 0.05M Bis-Tris, pH 5.0, 15% w/v polyethylene glycol monomethyl ether 2000, VAPOR DIFFUSION, HANGING DROP, temperature 289.0K |
