5O4G

HER2 in complex with Fab MF3958

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	2015-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00002
Spacegroup name	P 1 21 1
Unit cell lengths	62.790, 113.500, 113.490
Unit cell angles	90.00, 101.92, 90.00

Refinement procedure

Resolution	35.835 - 3.000
R-factor	0.2313
Rwork	0.229
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8y 3skj 2eh7
RMSD bond length	0.016
RMSD bond angle	0.576
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.835	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.144	0.786
Rpim	0.091	0.484
Number of reflections	30946	4534
<I/σ(I)>	8.6	2.5
Completeness [%]	98.9	99.6
Redundancy	3.5	3.5
CC(1/2)	0.980	0.479

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	0.1 M MES pH 6.0, 15% PEG 6000