5KWG

Crystal structure of extracellular domain of HER2 in complex with Fcab H10-03-6

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	2015-11-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9677
Spacegroup name	P 32 2 1
Unit cell lengths	109.770, 109.770, 176.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.532 - 4.300
R-factor	0.3283
Rwork	0.324
R-free	0.36860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k33
RMSD bond length	0.002
RMSD bond angle	0.595
Data reduction software	XDS (v.Oct-2015)
Data scaling software	XDS (v.Oct-2015)
Phasing software	PHENIX (1.10-2247)
Refinement software	PHENIX ((dev_2247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.532	4.454
High resolution limit [Å]	4.300	4.300
Rmerge	0.190	1.550
Number of reflections	8755
<I/σ(I)>	6.48	0.99
Completeness [%]	100.0	100
Redundancy	6.3	6
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	50 mM Citric acid, 18% (w/v) PEG 3350