7JXH

HER2 in complex with JBJ-08-178-01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97930
Spacegroup name	P 1 21 1
Unit cell lengths	91.138, 154.617, 93.548
Unit cell angles	90.00, 102.47, 90.00

Refinement procedure

Resolution	91.340 - 3.270
R-factor	0.2413
Rwork	0.239
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pp0
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.340	91.220	3.320
High resolution limit [Å]	3.260	8.860	3.260
Rmeas	0.595	0.095	3.930
Rpim	0.226	0.036	1.477
Total number of observations		13725	12607
Number of reflections	75837	2014	1805
<I/σ(I)>	3.9	9.2	0.9
Completeness [%]	99.1	99.6	92.6
Redundancy	6.8	6.8	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350