3WK8

Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	90
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 65 2 2
Unit cell lengths	92.473, 92.473, 243.935
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.230 - 2.200
R-factor	0.20223
Rwork	0.199
R-free	0.25386
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.141
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.230	2.256
High resolution limit [Å]	2.200	2.199
Number of reflections	30641
Completeness [%]	99.9	99.31

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M Potassium phosphate, 0.2M Ammonium dihydrogen phosphate, 25%w/v PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K