8TO4

EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	72.346, 103.109, 86.867
Unit cell angles	90.00, 101.24, 90.00

Refinement procedure

Resolution	70.960 - 2.990
R-factor	0.1759
Rwork	0.171
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.425
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.960	3.180
High resolution limit [Å]	2.990	3.000
Rmerge	0.203	0.670
Rmeas	0.243	0.806
Rpim	0.132	0.443
Total number of observations		12858
Number of reflections	25232	4006
<I/σ(I)>	4.6	1.9
Completeness [%]	99.8
Redundancy	3.3	3.2
CC(1/2)	0.925	0.548

Crystallization Conditions

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