7JXP

EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02

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	2019-07-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97930
Spacegroup name	P 1
Unit cell lengths	57.113, 94.741, 95.569
Unit cell angles	70.56, 78.40, 79.18

Refinement procedure

Resolution	89.110 - 2.160
R-factor	0.2139
Rwork	0.212
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.110	89.180	2.200
High resolution limit [Å]	2.160	5.860	2.160
Rmeas	0.128	0.068	1.428
Rpim	0.066	0.035	0.770
Total number of observations	295266	16726	6785
Number of reflections	81966	4437	2163
<I/σ(I)>	6.2	13.1	1.1
Completeness [%]	83.3	90.3	43.4
Redundancy	3.6	3.8	3.1

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