8QVM
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2021-12-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 94.410, 94.410, 247.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.110 - 2.000 |
| R-factor | 0.1993 |
| Rwork | 0.197 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.110 | 2.010 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 114534 | 1938 |
| <I/σ(I)> | 3.66 | |
| Completeness [%] | 100.0 | |
| Redundancy | 66.33 | |
| CC(1/2) | 0.951 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.2 | 293 | 32% PEG 3350, 0.1M Li2SO4 and 0.1M Tris-HCl (pH 8.2) |
