5K33

Crystal structure of extracellular domain of HER2 in complex with Fcab STAB19

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-27
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9677
Spacegroup name	P 32 2 1
Unit cell lengths	108.620, 108.620, 174.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.034 - 3.300
R-factor	0.222
Rwork	0.217
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jih 1n8z
RMSD bond length	0.004
RMSD bond angle	0.671
Data reduction software	XDS (XDS v.Oct-2015)
Data scaling software	XDS (XDS v.Oct-2015)
Phasing software	PHENIX (1.10-2247)
Refinement software	BUSTER (Snapshot v.20150616)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.034	3.418
High resolution limit [Å]	3.300	3.300
Rmerge	0.142	1.652
Number of reflections	18446
<I/σ(I)>	9.99	1.06
Completeness [%]	99.9	100
Redundancy	6.6	6.7
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	0.05 M MES, 10% w/v PEG3350