8QMZ
Soluble epoxide hydrolase in complex with RK4
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 21 21 21 |
Unit cell lengths | 80.290, 90.642, 188.416 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.470 - 1.470 |
R-factor | 0.18882 |
Rwork | 0.188 |
R-free | 0.21408 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.787 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.470 | 1.490 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.062 | 1.125 |
Rmeas | 0.067 | 1.218 |
Rpim | 0.026 | 0.463 |
Total number of observations | 1556818 | 72177 |
Number of reflections | 233100 | 10528 |
<I/σ(I)> | 13.8 | 1.7 |
Completeness [%] | 99.5 | |
Redundancy | 6.7 | 6.9 |
CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG6000, 10% ethylene glycol, 0.1M HEPES pH 7.0, 0.1M calcium chloride |