3FTZ

Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99994
Spacegroup name	P 21 21 21
Unit cell lengths	78.200, 87.094, 99.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.185
Rwork	0.183
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fh7
RMSD bond length	0.012
RMSD bond angle	1.277
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.124	0.540
Number of reflections	43773
<I/σ(I)>	6.3
Completeness [%]	93.8	96.5
Redundancy	5.1	4.8

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 Na Acetate, 5 mM YbCl3, crystal soaked in 13% PEG 8000, 100 mM Imidazole, 100 mM Sodium acetate, 150 mM NaCl, 5 mM 2-(pyridin-3-ylmethoxy)aniline, VAPOR DIFFUSION, SITTING DROP, temperature 289K