4ONS

Structural and thermodynamic characterization of cadherin-beta-catenin-alpha-catenin complex formation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 31
Unit cell lengths	96.125, 96.125, 65.517
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.753 - 2.800
R-factor	0.2075
Rwork	0.203
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.576
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.753	38.753	2.950
High resolution limit [Å]	2.794	8.840	2.790
Rmerge		0.028	0.496
Number of reflections	16165
<I/σ(I)>	12.4	17.6	0.3
Completeness [%]	96.2	94.9	93.1
Redundancy	3.3	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	283	100mM Tris-Cl, 22% polyethylene glycol monomethryl ether, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 283K