5AIB
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 | 92.983, 92.983, 244.475 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.530 - 1.950 |
R-factor | 0.2063 |
Rwork | 0.204 |
R-free | 0.24340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 244.480 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.080 | 0.920 |
Number of reflections | 46311 | |
<I/σ(I)> | 25.4 | 2.9 |
Completeness [%] | 99.6 | 96.3 |
Redundancy | 11.1 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |