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 |