8QWI
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 | 93.950, 93.950, 246.690 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.150 - 2.120 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.20390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.920 |
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] | 49.150 | 2.130 |
High resolution limit [Å] | 2.120 | 2.120 |
Number of reflections | 69231 | 2336 |
<I/σ(I)> | 9.42 | |
Completeness [%] | 100.0 | |
Redundancy | 1116 | |
CC(1/2) | 0.993 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | 32-42% PEG 3350, 0.1M Li2SO4 and 0.1M Tris-HCl (pH 8.2) |