5ALE
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 |
Detector technology | CCD |
Detector | A200-CU |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.320, 92.320, 243.906 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.480 - 1.950 |
R-factor | 0.1977 |
Rwork | 0.196 |
R-free | 0.23080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.120 |
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 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.140 | 1.170 |
Number of reflections | 45837 | |
<I/σ(I)> | 18.1 | 2.3 |
Completeness [%] | 100.0 | 99.5 |
Redundancy | 14.4 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |