7A6I

Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201

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	2018-02-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	I 21 21 21
Unit cell lengths	68.760, 90.160, 107.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.080 - 2.400
R-factor	0.2041
Rwork	0.202
R-free	0.23910
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]	45.080	2.500
High resolution limit [Å]	2.400	2.400
Rmeas	0.102	1.161
Number of reflections	13423	1513
<I/σ(I)>	19.07	2.29
Completeness [%]	99.7	99.8
Redundancy	12.48	12.4
CC(1/2)	0.999	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	27.5 % PEG3350, 200 mM MgSO4, 4 % ethylen glycole, 7.5 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)