6WA2

Crystal structure of EGFR(T790M/V948R) in complex with LN3753

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	2019-06-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	71.360, 102.470, 87.680
Unit cell angles	90.00, 102.54, 90.00

Refinement procedure

Resolution	69.660 - 2.400
R-factor	0.2224
Rwork	0.221
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p1d
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.660	69.660	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.078	0.019	0.458
Rmeas	0.092	0.021	0.535
Rpim	0.048	0.010	0.270
Total number of observations	186031	2394	11674
Number of reflections	46133	562	3157
<I/σ(I)>	15.9	45	2.8
Completeness [%]	95.7	98.4	88.3
Redundancy	4	4.3	3.7
CC(1/2)	0.992	1.000	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	25% PEG-3350 0.1 M BisTris