8S75
Soluble epoxide hydrolase in complex with PROTAC FL412
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 | 47.125, 80.182, 89.417 |
| Unit cell angles | 90.00, 91.54, 90.00 |
Refinement procedure
| Resolution | 47.150 - 1.420 |
| R-factor | 0.18904 |
| Rwork | 0.187 |
| R-free | 0.21972 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| 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] | 47.150 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.071 | 0.989 |
| Rmeas | 0.085 | 1.177 |
| Rpim | 0.046 | 0.630 |
| Total number of observations | 21097 | |
| Number of reflections | 124511 | 6064 |
| <I/σ(I)> | 9.4 | 1.6 |
| Completeness [%] | 99.3 | |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.996 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20% w/v PEG 3350, 0.2M Ammonium chloride |
