3DBG
Crystal structure of Cytochrome P450 170A1 (CYP170A1) from Streptomyces coelicolor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2007-12-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1 |
| Spacegroup name | P 63 |
| Unit cell lengths | 103.596, 103.596, 140.861 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.600 |
| R-factor | 0.2123 |
| Rwork | 0.208 |
| R-free | 0.23030 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.069 | 0.440 |
| Number of reflections | 25503 | |
| <I/σ(I)> | 5.4 | 2.9 |
| Completeness [%] | 85.5 | 73.4 |
| Redundancy | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | ammonium sulphate, bis-tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
