3B7U

Leukotriene A4 Hydrolase Complexed with KELatorphan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	77.829, 87.136, 99.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.667 - 1.900
R-factor	0.188
Rwork	0.170
R-free	0.21700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1h19
RMSD bond length	0.021
RMSD bond angle	1.770
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.667	14.670	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.095	0.062	0.252
Total number of observations		6477	18463
Number of reflections	52364
<I/σ(I)>	4.9	9.5	1.2
Completeness [%]	97.5	87.8	96
Redundancy	3.5	4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	liquid-liquid diffusion		298	CO-CRYSTALLIZED WITH LTA4H BY LIQUID-LIQUID DIFFUSION IN MELTING-POINT CAPILLARIES. A TRIS-BUFFERED (10 mM, PH 7.5) SOLUTION OF PROTEIN AND INHIBITOR IN APPROXIMATELY EQUIMOLAR CONCENTRATIONS (~70 MICROM) WAS LAYERED ON THE PRECIPITATE SOLUTION CONTAINING 28% (WEIGHT/VOLUME) POLYETHYLENE GLYCOL (MW 8000), 50 mM NA ACETATE, 100 mM IMIDAZOLE, PH 6.8, AND 5 MM YBCL3, liquid-liquid diffusion, temperature 298K