5FP0

ligand complex structure of soluble epoxide hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Detector	PILATUS
Spacegroup name	P 65 2 2
Unit cell lengths	92.510, 92.510, 244.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.040 - 2.350
R-factor	0.1732
Rwork	0.170
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.040	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.110	0.640
Number of reflections	24533
<I/σ(I)>	23	4.6
Completeness [%]	91.8	57.4
Redundancy	20.4	17.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1