8QZD
Soluble epoxide hydrolase in complex with Epoxykinin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 45.924, 80.312, 89.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.540 - 1.300 |
| R-factor | 0.16371 |
| Rwork | 0.163 |
| R-free | 0.18041 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.926 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.540 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.075 | 1.149 |
| Rmeas | 0.082 | 1.263 |
| Rpim | 0.032 | 0.517 |
| Total number of observations | 518234 | 21137 |
| Number of reflections | 80739 | 3673 |
| <I/σ(I)> | 10.7 | 1.5 |
| Completeness [%] | 99.6 | |
| Redundancy | 6.4 | 5.8 |
| CC(1/2) | 0.998 | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 25% PEG Smear High, 0.1M PIPES pH 7.0, 0.1M magnesium formate, 0.1M rubidium chloride |
