5AI8
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 | 92.753, 92.753, 244.331 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.620 - 1.850 |
| R-factor | 0.2009 |
| Rwork | 0.200 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ahx |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.120 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.040 | 0.710 |
| Number of reflections | 53069 | |
| <I/σ(I)> | 27.3 | 2.9 |
| Completeness [%] | 98.8 | 98 |
| Redundancy | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
