5ALP
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 | RIGAKU CCD-A200-CU |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 93.015, 93.015, 244.337 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.550 - 2.060 |
R-factor | 0.1828 |
Rwork | 0.180 |
R-free | 0.22780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.011 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.550 | 2.170 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmerge | 0.070 | 0.530 |
Number of reflections | 39241 | |
<I/σ(I)> | 29.7 | 5.2 |
Completeness [%] | 99.1 | 98.2 |
Redundancy | 11.3 | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |