5ALI

ligand complex structure of soluble epoxide hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+
Temperature [K]	100
Detector technology	CCD
Detector	RIGAKU A200
Spacegroup name	P 65 2 2
Unit cell lengths	92.588, 92.588, 244.362
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.290 - 1.850
R-factor	0.1853
Rwork	0.183
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.180	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.070	0.840
Number of reflections	51392
<I/σ(I)>	29.2	3.5
Completeness [%]	96.2	93.8
Redundancy	11.7	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1