5AI6
ligand complex structure of soluble epoxide hydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ |
Temperature [K] | 100 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.602, 92.602, 243.759 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.490 - 2.300 |
R-factor | 0.1885 |
Rwork | 0.186 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.100 | 0.700 |
Number of reflections | 27895 | |
<I/σ(I)> | 21.7 | 4.2 |
Completeness [%] | 98.7 | 97.6 |
Redundancy | 11.6 | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |