2D0E
Substrate assited in Oxygen Activation in Cytochrome P450 158A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2005-06-23 |
| Detector | BRUKER PROTEUM 225 |
| Wavelength(s) | 1.035 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.823, 69.199, 103.754 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.150 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t93 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.100 | 0.729 |
| Number of reflections | 20720 | |
| <I/σ(I)> | 1.95 | |
| Completeness [%] | 95.9 | 93.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | PEG 3350, 2-hydroxy-1,4-naphthoquinone, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
