5AIA
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 A200-CU |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.380, 92.380, 245.643 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.000 - 2.260 |
R-factor | 0.2216 |
Rwork | 0.218 |
R-free | 0.28120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.520 | 2.390 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.110 | 0.490 |
Number of reflections | 29712 | |
<I/σ(I)> | 27.4 | 6.5 |
Completeness [%] | 99.4 | 98.6 |
Redundancy | 11.1 | 11.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |