3WKE

Crystal structure of soluble epoxide hydrolase in complex with t-AUCB

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
Wavelength(s)	1.0000
Spacegroup name	P 65 2 2
Unit cell lengths	91.948, 91.948, 243.942
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.020 - 2.750
R-factor	0.17838
Rwork	0.174
R-free	0.25379
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.664
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]	40.020	2.822
High resolution limit [Å]	2.750	2.750
Number of reflections	15785
Completeness [%]	99.7	99.92

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