5ALY

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	92.103, 92.103, 244.045
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.460 - 1.900
R-factor	0.1979
Rwork	0.195
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.010
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	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.120	1.320
Number of reflections	46297
<I/σ(I)>	20.2	2.3
Completeness [%]	94.9	91.9
Redundancy	12.1	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1