7LTX

EGFR (T790M/V948R) in complex with quinazolinone 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	2019-07-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97930
Spacegroup name	P 1 21 1
Unit cell lengths	56.888, 73.488, 150.217
Unit cell angles	90.00, 99.63, 90.00

Refinement procedure

Resolution	148.100 - 2.300
R-factor	0.1874
Rwork	0.186
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6duk
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	148.100	148.410	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmeas	0.132	0.053	1.184
Rpim	0.051	0.021	0.460
Total number of observations	358220	18912	17939
Number of reflections	53925	2803	2699
<I/σ(I)>	8.5	31.7	0.9
Completeness [%]	98.9	99.1	99.7
Redundancy	6.6	6.7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350