5ALK

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 SATURN A200
Spacegroup name	P 65 2 2
Unit cell lengths	93.200, 93.200, 244.372
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.710 - 2.330
R-factor	0.1976
Rwork	0.196
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.009
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	244.370	2.450
High resolution limit [Å]	2.330	2.330
Rmerge	0.070	0.520
Number of reflections	27763
<I/σ(I)>	29.5	5.2
Completeness [%]	99.7	99.2
Redundancy	10.6	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1