4C4Z
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-12-21 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.490, 79.850, 87.220 |
Unit cell angles | 90.00, 89.38, 90.00 |
Refinement procedure
Resolution | 28.670 - 2.060 |
R-factor | 0.2223 |
Rwork | 0.220 |
R-free | 0.25300 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.850 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.030 | 0.160 |
Number of reflections | 36430 | |
<I/σ(I)> | 21.7 | 8.3 |
Completeness [%] | 90.7 | 82.6 |
Redundancy | 2.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.3 | pH 8.3 |