7A6K

Crystal Structure of EGFR-T790M/V948R 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	2020-02-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9998
Spacegroup name	P 1 21 1
Unit cell lengths	75.100, 82.420, 90.000
Unit cell angles	90.00, 90.89, 90.00

Refinement procedure

Resolution	47.490 - 2.000
R-factor	0.1933
Rwork	0.192
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s8a
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.490	2.100
High resolution limit [Å]	2.000	2.000
Rmeas	0.078	0.961
Number of reflections	74127	10013
<I/σ(I)>	13.5	2.2
Completeness [%]	99.9	100
Redundancy	6.81	6.94
CC(1/2)	0.999	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25.0 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 6.8 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)