8GK5

EGFR(T790M/V948R) kinase in complex with osimertinib and benzimidazole allosteric inhibitor

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	2019-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97890
Spacegroup name	C 1 2 1
Unit cell lengths	170.569, 73.057, 119.105
Unit cell angles	90.00, 118.84, 90.00

Refinement procedure

Resolution	65.630 - 2.300
R-factor	0.2239
Rwork	0.222
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.760
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.630	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.111	0.760
Rmeas	0.135	0.943
Rpim	0.077	0.549
Total number of observations		7846
Number of reflections	101280	2725
<I/σ(I)>	8.2	1.1
Completeness [%]	96.5
Redundancy	2.9	2.9
CC(1/2)	0.989	0.199

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	0.1 M Bis-Tris pH 5.7, 30% (w/v) PEG 3350