6WXN

EGFR(T790M/V948R) in complex with LN3844

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	71.913, 102.742, 87.306
Unit cell angles	90.00, 101.20, 90.00

Refinement procedure

Resolution	65.780 - 1.760
R-factor	0.2093
Rwork	0.208
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v5n
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.700	85.700	1.810
High resolution limit [Å]	1.760	7.870	1.760
Rmerge	0.061	0.024	0.902
Rmeas	0.072	0.028	1.109
Rpim	0.038	0.015	0.632
Total number of observations	414637	5158	21514
Number of reflections	119832	1436	7355
<I/σ(I)>	9	27.8	1.1
Completeness [%]	97.5	100	81.7
Redundancy	3.5	3.6	2.9
CC(1/2)	0.998	0.999	0.482

Crystallization Conditions

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