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