5AKZ

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	92.510, 92.510, 243.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.840 - 2.180
R-factor	0.1915
Rwork	0.189
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	BUSTER (2.9.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.840	2.300
High resolution limit [Å]	2.180	2.180
Rmerge	0.100	0.560
Number of reflections	33176
<I/σ(I)>	15.7	3.6
Completeness [%]	100.0	100
Redundancy	10.1	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1