3E5J
Crystal structure of CYP105P1 wild-type ligand-free form
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 | 2007-05-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 88.401, 88.401, 193.885 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.750 - 1.950 |
| R-factor | 0.19072 |
| Rwork | 0.190 |
| R-free | 0.21065 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bvj |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.604 |
| 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 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 57002 | |
| <I/σ(I)> | 65.3 | 5.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14.3 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 3.7M sodium formate, pH8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
