5JIH

Crystal structure of HER2 binding IgG1-Fc (Fcab STAB19)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.968627
Spacegroup name	P 21 21 21
Unit cell lengths	49.657, 79.465, 140.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.819 - 1.663
R-factor	0.2001
Rwork	0.198
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jii
RMSD bond length	0.013
RMSD bond angle	1.488
Data reduction software	XDS (VERSION Oct 15, 2015)
Data scaling software	XDS
Phasing software	PHENIX (Dev. Ver 1.10-2247)
Refinement software	PHENIX (dev_1894)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.820	1.722
High resolution limit [Å]	1.663	1.663
Rmerge	0.058	1.231
Number of reflections	65106
<I/σ(I)>	8.87	0.63
Completeness [%]	98.0	92
Redundancy	3.7	3
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.05 M TRIS, 22% (w/v) PEG 3350