5AM2

ligand complex structure of soluble epoxide hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Detector	CCD
Spacegroup name	P 65 2 2
Unit cell lengths	92.605, 92.605, 245.663
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.760 - 1.700
R-factor	0.2013
Rwork	0.200
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.050	1.400
Number of reflections	69347
<I/σ(I)>	23.6	1.6
Completeness [%]	99.9	100
Redundancy	8.8	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1