2DKK
Structure/Function studies of Cytochrome P450 158A1 from Streptomyces Coelicolor A3(2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.8 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.968, 44.352, 102.107 |
| Unit cell angles | 90.00, 114.44, 90.00 |
Refinement procedure
| Resolution | 7.990 - 1.970 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t93 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.065 | 0.239 |
| Number of reflections | 30268 | |
| <I/σ(I)> | 15.1 | 3.6 |
| Completeness [%] | 99.0 | 96.3 |
| Redundancy | 4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | ammonium dihydrogen phosphate, imidazole, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
