8S76
Soluble epoxide hydrolase in complex with PROTAC JSF67
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 | 47.395, 80.362, 90.224 |
| Unit cell angles | 90.00, 92.17, 90.00 |
Refinement procedure
| Resolution | 47.410 - 1.480 |
| R-factor | 0.16778 |
| Rwork | 0.166 |
| R-free | 0.19918 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.834 |
| 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] | 47.410 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.056 | 0.936 |
| Rmeas | 0.067 | 1.117 |
| Rpim | 0.036 | 0.602 |
| Total number of observations | 18194 | |
| Number of reflections | 111646 | 5253 |
| <I/σ(I)> | 10.3 | 1.6 |
| Completeness [%] | 99.3 | |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.998 | 0.497 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000 |
