3CHP

Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid

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	2003-06-03
Detector	MAR CCD 165 mm
Wavelength(s)	1.007
Spacegroup name	P 21 21 2
Unit cell lengths	67.767, 133.572, 83.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.850 - 2.100
Rwork	0.232
R-free	0.27800
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]	26.090	2.210
High resolution limit [Å]	2.100	2.100
Number of reflections	45016
<I/σ(I)>	11	2.4
Completeness [%]	99.8	99.6
Redundancy	4	3.8

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