5ALS

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	93.724, 93.724, 244.922
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	81.170 - 2.570
R-factor	0.2032
Rwork	0.203
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
RMSD bond length	0.010
RMSD bond angle	1.280
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.170	2.710
High resolution limit [Å]	2.570	2.570
Rmerge	0.080	0.700
Number of reflections	21109
<I/σ(I)>	22	3.2
Completeness [%]	99.7	99.7
Redundancy	9.5	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1