3TZO
The role of I87 of CYP158A2 in oxidative coupling reaction
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 | 2006-04-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.609, 79.313, 87.658 |
| Unit cell angles | 90.00, 94.08, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.760 |
| R-factor | 0.2165 |
| Rwork | 0.216 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.760 |
| Rmerge | 0.112 |
| Number of reflections | 75518 |
| <I/σ(I)> | 10.8 |
| Completeness [%] | 98.3 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | ammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
