7JXW

EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-09-063

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	2018-11-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	170.248, 73.059, 119.068
Unit cell angles	90.00, 118.57, 90.00

Refinement procedure

Resolution	65.640 - 2.500
R-factor	0.276
Rwork	0.274
R-free	0.31850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.640	65.660	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmeas	0.294	0.114	2.092
Rpim	0.112	0.045	0.795
Total number of observations	301319	14959	14474
Number of reflections	44233	2306	2187
<I/σ(I)>	4.5	14.4	0.6
Completeness [%]	98.9	98.6	99.3
Redundancy	6.8	6.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350