3FUJ

Leukotriene A4 hydrolase in complex with 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97000
Spacegroup name	P 21 21 21
Unit cell lengths	78.516, 87.395, 99.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.168
Rwork	0.166
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fh7
RMSD bond length	0.016
RMSD bond angle	1.453
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.084	0.344
Number of reflections	53229
<I/σ(I)>	8.9
Completeness [%]	97.4	81.4
Redundancy	7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5		13% PEG 8000, 100 mM Imidazole pH 6.5, 100 mM Na Acetate, 5 mM YbCl3, crystal soaked overnight with 15 mM 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole, VAPOR DIFFUSION, SITTING DROP