8S77
Soluble epoxide hydrolase in complex with PROTAC JSF234
This is a non-PDB format compatible entry.
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 | 47.283, 80.337, 89.248 |
| Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
| Resolution | 47.300 - 1.360 |
| R-factor | 0.19531 |
| Rwork | 0.194 |
| R-free | 0.21493 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.838 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.300 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.043 | 1.062 |
| Rmeas | 0.051 | 1.281 |
| Rpim | 0.028 | 0.706 |
| Total number of observations | 22251 | |
| Number of reflections | 141572 | 6994 |
| <I/σ(I)> | 11.7 | 1.1 |
| Completeness [%] | 98.8 | |
| Redundancy | 3.4 | 3.2 |
| CC(1/2) | 0.998 | 0.574 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG6000, 10% ethylene glycol, 0.1M tris pH 7.5, 0.1M magnesium chloride |
