8QN0
Soluble epoxide hydrolase in complex with RK3
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 1 21 1 |
| Unit cell lengths | 47.332, 80.478, 90.038 |
| Unit cell angles | 90.00, 92.14, 90.00 |
Refinement procedure
| Resolution | 44.090 - 1.490 |
| R-factor | 0.16457 |
| Rwork | 0.163 |
| R-free | 0.18698 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.731 |
| 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] | 44.990 | 1.510 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.041 | 0.694 |
| Rmeas | 0.049 | 0.825 |
| Rpim | 0.026 | 0.440 |
| Total number of observations | 18609 | |
| Number of reflections | 109510 | 5367 |
| <I/σ(I)> | 14.8 | 2.1 |
| Completeness [%] | 99.4 | |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.999 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% PEG5000MME, 0.1M bis-tris pH 6.5 |
