1VJ5

Human soluble Epoxide Hydrolase- N-cyclohexyl-N'-(4-iodophenyl)urea complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-24
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	93.510, 93.510, 245.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.940 - 2.350
R-factor	0.217
Rwork	0.217
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	human epoxide hydrolase
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.129	0.452
Number of reflections	27380
<I/σ(I)>	17	3.7
Completeness [%]	99.9	99.7
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.4	277	PEG 3350, Tris, n-hexadecyl-B-D-maltoside, pH 8.4, VAPOR DIFFUSION