2NZA
Structure and 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 | 2006-08-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 186.610, 44.348, 130.619 |
| Unit cell angles | 90.00, 98.23, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.900 |
| R-factor | 0.224 |
| Rwork | 0.197 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dkk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.020 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.103 | 0.200 |
| Number of reflections | 23648 | |
| <I/σ(I)> | 9.7 | 3.9 |
| Completeness [%] | 88.4 | 73.7 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | pH 7., VAPOR DIFFUSION, HANGING DROP, temperature 295K |
