4HRN

Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2012-08-22
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	195.000, 195.000, 112.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.750 - 2.650
R-factor	0.2194
Rwork	0.218
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8z 2jab
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.041	0.016	0.511
Rmeas		0.018	0.575
Number of reflections	23767	289	1735
<I/σ(I)>	26.42	77.39	3.54
Completeness [%]	99.9	97.6	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4	293	0.05M succinic acid, 29% ammonium sulfate, pH 4.0, vapor diffusion, temperature 293K