7P4K

Soluble epoxide hydrolase in complex with FL217

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	2019-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00004
Spacegroup name	C 1 2 1
Unit cell lengths	127.820, 79.326, 88.599
Unit cell angles	90.00, 126.65, 90.00

Refinement procedure

Resolution	44.020 - 2.150
R-factor	0.1796
Rwork	0.177
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fr2
RMSD bond length	0.013
RMSD bond angle	1.169
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.020	2.220
High resolution limit [Å]	2.150	2.150
Number of reflections	35542	3151
<I/σ(I)>	7.4	2.1
Completeness [%]	92.0
Redundancy	2.5
CC(1/2)	0.996	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	28 % (w/v) polyethylenglycol (PEG) 6000, 70 mM ammonium acetat, 200 mM magnesium acetat, 100 mM sodium cacodylate at pH 6.13