6LBX

Crystal structure of HER2 Domain IV and Rb-H2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-27
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	44.659, 80.071, 108.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.890 - 2.030
R-factor	0.1931
Rwork	0.190
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b4p
RMSD bond length	0.008
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.890	2.103
High resolution limit [Å]	2.030	2.030
Rmerge	0.031	0.378
Number of reflections	25457	2471
<I/σ(I)>	16.01	1.63
Completeness [%]	98.5
Redundancy	2
CC(1/2)	0.999	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	290	0.1M Sodium Citrate/Citric Acid (pH 5.5), 20% PEG 3000