5JIK

Crystal structure of HER2 binding IgG1-Fc (Fcab H10-03-6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976254
Spacegroup name	P 21 21 21
Unit cell lengths	49.741, 79.808, 140.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.903 - 1.820
R-factor	0.2278
Rwork	0.225
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jih
RMSD bond length	0.006
RMSD bond angle	0.898
Data reduction software	XDS (VERSION January 10, 2014)
Data scaling software	XDS (VERSION January 10, 2014)
Phasing software	PHENIX (dev_1894)
Refinement software	PHENIX (dev_2247)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.903	1.885
High resolution limit [Å]	1.820	1.820
Rmerge	0.072	4.875
Number of reflections	51065
<I/σ(I)>	11.72	0.46
Completeness [%]	100.0	100
Redundancy	6.5	6.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.05 M HEPES, 24% (w/v) PEG 3350