5AI0
Ligand complex structure of soluble epoxide hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 92.914, 92.914, 244.486 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.670 - 1.750 |
| Rwork | 0.202 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ahx |
| 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 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 1.320 |
| Number of reflections | 63827 | |
| <I/σ(I)> | 23.1 | 1.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.5 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
