5ALQ

ligand complex structure of soluble epoxide hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 65 2 2
Unit cell lengths	92.726, 92.726, 244.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.300 - 2.780
R-factor	0.2123
Rwork	0.212
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.300	2.930
High resolution limit [Å]	2.780	2.780
Rmerge	0.070	0.680
Number of reflections	16488
<I/σ(I)>	23.3	2.7
Completeness [%]	100.0	100
Redundancy	7.9	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1