7JXL

EGFR kinase (T790M/V948R) in complex with AZ5104

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	2019-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	71.054, 101.326, 86.952
Unit cell angles	90.00, 101.36, 90.00

Refinement procedure

Resolution	60.050 - 2.400
R-factor	0.2104
Rwork	0.209
R-free	0.23930
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]	65.230	65.260	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmeas	0.186	0.071	1.603
Rpim	0.070	0.027	0.603
Total number of observations	330030	16165	16359
Number of reflections	47165	2421	2347
<I/σ(I)>	11.2	32.9	1.8
Completeness [%]	99.7	99.7	99.7
Redundancy	7	6.7	7

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