3E5K
Crystal structure of CYP105P1 wild-type 4-phenylimidazole complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 143.725, 143.725, 70.943 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.520 - 2.600 |
| R-factor | 0.17857 |
| Rwork | 0.176 |
| R-free | 0.23553 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e5j |
| RMSD bond length | 0.017 |
| RMSD bond angle | 3.549 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 26300 | |
| <I/σ(I)> | 38.7 | 4.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.2 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 3.8M sodium formate, pH8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
