3CHO

Crystal structure of leukotriene a4 hydrolase in complex with 2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide

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	2002-03-14
Detector	MAR CCD 165 mm
Wavelength(s)	1.076
Spacegroup name	P 21 21 21
Unit cell lengths	78.312, 87.124, 99.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.740 - 1.800
Rwork	0.188
R-free	0.22300
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	0.800
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNX
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.740	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	62985
<I/σ(I)>	10.4	2.9
Completeness [%]	99.1	99.6
Redundancy	3.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	8	298	PEG 8000, SODIUM ACETATE, IMIDEAZOLE PH 6.8, YBCL2, BESTATIN, LIQUID DIFFUSION, TEMPERATURE 298K, pH 8.00