6V5P

EGFR(T790M/V948R) in complex with LN2725

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	2018-07-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	70.360, 101.610, 87.170
Unit cell angles	90.00, 102.31, 90.00

Refinement procedure

Resolution	40.860 - 2.300
R-factor	0.1798
Rwork	0.179
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
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]	40.860	40.860	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.076	0.028	0.652
Rmeas	0.084	0.031	0.728
Rpim	0.036	0.014	0.321
Total number of observations	275491	3094	19657
Number of reflections	52870	611	3892
<I/σ(I)>	13.9	39.8	2.4
Completeness [%]	99.2	97.3	99
Redundancy	5.2	5.1	5.1
CC(1/2)	0.999	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Bis-Tris, 25% PEG3350