3FH8

Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	78.174, 87.357, 99.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.670
R-factor	0.172
Rwork	0.171
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hs6
RMSD bond length	0.009
RMSD bond angle	1.208
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.670	1.670
Rmerge	0.093	0.650
Number of reflections	77564
<I/σ(I)>	8.9
Completeness [%]	97.0	87.7
Redundancy	5.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	13% PEG 8000, 100 MM IMIDAZOLE PH 6.5, 100 MM NAACETATE, 5 MM YBCL3, VAPOR DIFFUSION, SITTING DROP, temperature 289K