5AI5

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	ADSC CCD-A200-CU
Spacegroup name	P 65 2 2
Unit cell lengths	93.292, 93.292, 244.438
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.400 - 2.280
R-factor	0.1797
Rwork	0.177
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	244.440	2.400
High resolution limit [Å]	2.280	2.280
Rmerge	0.140	1.000
Number of reflections	29297
<I/σ(I)>	18.4	2.6
Completeness [%]	98.9	98.2
Redundancy	11.2	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1