7JXM

EGFR kinase (T790M/V948R) in complex with osimertinib and EAI045

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	2018-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	72.548, 103.224, 87.043
Unit cell angles	90.00, 101.55, 90.00

Refinement procedure

Resolution	49.909 - 2.192
R-factor	0.228
Rwork	0.227
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
RMSD bond length	0.009
RMSD bond angle	1.071
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.909	49.909	2.320
High resolution limit [Å]	2.190	6.520	2.190
Rmerge	0.208	0.052	0.812
Rmeas	0.247	0.063	0.977
Number of reflections	120584	2444	9574
<I/σ(I)>	8.95	23.99	1.56
Completeness [%]	97.4	96.7	92.4
Redundancy	3.442	3.158	3.204
CC(1/2)	0.973	0.995	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350