5MY6

Crystal structure of a HER2-Nb complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.999
Spacegroup name	P 21 21 21
Unit cell lengths	66.520, 113.520, 137.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.794 - 2.246
R-factor	0.1866
Rwork	0.185
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s78
RMSD bond length	0.006
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.794	2.326
High resolution limit [Å]	2.246	2.246
Rmeas	0.103	0.709
Number of reflections	49524	4790
<I/σ(I)>	9.65	1.7
Completeness [%]	98.1	96.6
Redundancy	3.3	3.2
CC(1/2)	0.995	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.25	293.15	100 mM HEPES pH 7.25, 10% 2-propanol, 22% PEG 4000