3FTX

Leukotriene A4 hydrolase in complex with dihydroresveratrol and bestatin

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
Collection date	2008-06-28
Detector	ADSC QUANTUM 210
Wavelength(s)	0.977408
Spacegroup name	P 21 21 21
Unit cell lengths	78.476, 86.995, 99.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.960
R-factor	0.172
Rwork	0.170
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fh7
RMSD bond length	0.015
RMSD bond angle	1.440
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	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.084	0.360
Number of reflections	46601
<I/σ(I)>	7.8
Completeness [%]	92.1	80.8
Redundancy	4.1	3.2

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, Overnight soak vs. 25 mM dihydroresveratrol, followed by 4 hr. soak vs. 25 mM dihydroresveratrol plus 1 mM bestatin, VAPOR DIFFUSION, SITTING DROP, temperature 289K