5AI6

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
Spacegroup name	P 65 2 2
Unit cell lengths	92.602, 92.602, 243.759
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.490 - 2.300
R-factor	0.1885
Rwork	0.186
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.009
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.700
Number of reflections	27895
<I/σ(I)>	21.7	4.2
Completeness [%]	98.7	97.6
Redundancy	11.6	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1