1FF5

STRUCTURE OF E-CADHERIN DOUBLE DOMAIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-20
Temperature [K]	298
Detector technology	AREA DETECTOR
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	122.500, 80.560, 73.440
Unit cell angles	90.00, 113.98, 90.00

Refinement procedure

Resolution	20.000 - 2.930
RMSD bond length	0.010
RMSD bond angle	1.640
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.930	2.930 *
Rmerge	0.133
Total number of observations	28520 *
Number of reflections	13451 *
Completeness [%]	95.5	81.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	298	50 mM ammonium sulfate, 50 mM NaOAc, 30% PEG 8000, pH 8.5, Tris-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		150 (mM)
4	1	drop		2 (mM)
5	1	reservoir	ammonium sulfate	50 (mM)
6	1	reservoir		50 (mM)
7	1	reservoir	PEG8000	30 (%)
8	1	reservoir	Tris-HCl