6V6O

EGFR(T790M/V948R) in complex with LN2380

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	2018-08-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	71.550, 102.360, 173.569
Unit cell angles	90.00, 101.30, 90.00

Refinement procedure

Resolution	69.830 - 2.100
R-factor	0.1963
Rwork	0.195
R-free	0.22060
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]	69.870	69.830	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.115	0.069	0.629
Rmeas	0.124	0.075	0.679
Rpim	0.047	0.028	0.253
Total number of observations		11844	72819
Number of reflections	141083	1686	10374
<I/σ(I)>	11	20.7	3.9
Completeness [%]	98.8	99.7	98.8
Redundancy	7	7	7
CC(1/2)	0.996	0.995	0.945

Crystallization Conditions

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