3WKC

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 AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	90
Detector technology	CCD
Detector	ADSC QUANTUM 210r
Spacegroup name	P 65 2 2
Unit cell lengths	92.518, 92.518, 243.447
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.260 - 2.200
R-factor	0.19945
Rwork	0.197
R-free	0.24804
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.093
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]	46.260	2.257
High resolution limit [Å]	2.200	2.200
Number of reflections	30416
Completeness [%]	99.4	96.39

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