3B7R

Leukotriene A4 Hydrolase Complexed with Inhibitor RB3040

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	2003-05-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	78.330, 86.937, 99.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.534 - 1.811
R-factor	0.15
Rwork	0.149
R-free	0.18500
Starting model (for MR)	1h19
RMSD bond length	0.017
RMSD bond angle	1.574
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.534	15.670	1.910
High resolution limit [Å]	1.811	5.720	1.811
Rmerge	0.060	0.027	0.255
Total number of observations		7796	33796
Number of reflections	61881
<I/σ(I)>	10.8	18.6	2.8
Completeness [%]	99.2	95.1	95.7
Redundancy	4.1	3.8	3.9

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