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 |
