7B85

Crystal Structure of EGFR-WT in Complex with TAK-788

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9999
Spacegroup name	I 2 3
Unit cell lengths	144.280, 144.280, 144.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.630 - 2.500
R-factor	0.2161
Rwork	0.215
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s8a
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.630	2.600
High resolution limit [Å]	2.500	2.500
Rmeas	0.096	1.636
Number of reflections	17435	1917
<I/σ(I)>	14.93	2.01
Completeness [%]	100.0	99.9
Redundancy	10.34	10.35
CC(1/2)	0.998	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.6 K-Na-tartrate, 100 mM Na-MES (pH 7.0), 6.2 mg/mL EGFR-WT (im 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0, 1 ul reservoir + 1 ul solution Soaking-Experiment