5AEN

Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-13
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 21 21 21
Unit cell lengths	76.996, 86.953, 98.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.715 - 1.864
R-factor	0.1713
Rwork	0.170
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gw6
RMSD bond length	0.011
RMSD bond angle	1.245
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.720	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.070	0.250
Number of reflections	53242
<I/σ(I)>	27.6	3.3
Completeness [%]	95.6	63.5
Redundancy	11.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6		1 MICROLITTER OF PROTEIN SOLUTION CONTAINING 10MM TRIS-HCL, 25MM KCL, AND 4 MG/ML TO 8 MG/ML LTA4H (PH 8) WAS MIXED AT DIFFERENT RATIOS (0.5:1, 1:1, AND 1:2) WITH PRECIPITATE SOLUTION CONTAINING 0:15M IMIDAZOLE, 0:1M SODIUM ACETATE PH 6, 14% PEG-8000, AND 5MM YBCL3, AND CRYSTALLIZED AT 17:4 C FOR TWO WEEKS BY HANGING DROP VAPOR-DIFFUSION METHOD