3U9W

Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-26
Detector	MAR CCD 165 mm
Wavelength(s)	1.0408
Spacegroup name	P 21 21 21
Unit cell lengths	78.078, 86.799, 99.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.370 - 1.250
R-factor	0.1344
Rwork	0.134
R-free	0.16090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.975
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.372	65.372	1.300
High resolution limit [Å]	1.250	10.000	1.250
Rmerge	0.055	0.021	0.370
Number of reflections	184616	683	38802
<I/σ(I)>	9.92	52.63	2.61
Completeness [%]	98.1	97	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID-LIQUID DIFFUSION, CAPILLARIES	6.8	298	28% PEG8000, 0.1 mM sodium acetate, 0.1 mM imidazole, 5 mM ytterbium(III) chloride, pH 6.8, LIQUID-LIQUID DIFFUSION, CAPILLARIES, temperature 298K