5ALR

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 CCD-A200-CU
Spacegroup name	P 65 2 2
Unit cell lengths	92.675, 92.675, 244.721
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.660 - 2.600
R-factor	0.2055
Rwork	0.204
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.009
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]	50.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.090	0.850
Number of reflections	19938
<I/σ(I)>	27	3.2
Completeness [%]	99.8	100
Redundancy	11.4	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1