1EDH

E-CADHERIN DOMAINS 1 AND 2 IN COMPLEX WITH CALCIUM

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	113
Detector technology	CCD
Collection date	1995-04-03
Detector	PRINCETON 2K
Spacegroup name	C 1 2 1
Unit cell lengths	121.657, 80.802, 72.635
Unit cell angles	90.00, 116.65, 90.00

Refinement procedure

Resolution	5.000 - 2.000
R-factor	0.206
Rwork	0.206
R-free	0.26200
Structure solution method	THE INITIAL MODEL WAS OBTAINED FROM A COMBINATION OF MULTI-WAVELENGTH ANOMALOUS DIFFRACTION (MAD) AND REAL SPACE AVERAGING TECHNIQUES. THE MAD DATA WAS TAKEN AT THE MERCURY L(III) EDGE AT 3 DIFFERENT WAVELENGTHS (CHESS BEAMLINE F2). REAL SPACE AVERAGING WAS USED TO IMPROVE THE MAPS.
RMSD bond length	0.006
RMSD bond angle	26.966 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.053 *
Total number of observations	86202 *
Number of reflections	37605
<I/σ(I)>	13
Completeness [%]	88.3	63.6
Redundancy	2.3	1.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.25 *		1.2 M AMMONIUM SULFATE 0.01 M CALCIUM CHLORIDE 0.1 M TRIS-HCL BUFFER, PH 9.0 0.003 M SODIUM AZIDE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop	dithiothreitol	5 (mM)
4	1	drop	sodium azide	0.05 (mM)
5	1	reservoir	ammonium sulfate	1.2 (M)
6	1	reservoir	calcium chloride	5-10 (mM)
7	1	reservoir	Tris-HCl	100 (mM)
8	1	reservoir	sodium azide	3 (mM)