8EME

EGFR(T790M/V948R) in complex with ZNL-0056

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	2020-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	34.874, 99.992, 87.023
Unit cell angles	90.00, 100.80, 90.00

Refinement procedure

Resolution	50.000 - 3.320
R-factor	0.2852
Rwork	0.283
R-free	0.31840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6duk
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.970	64.990	3.380
High resolution limit [Å]	3.320	9.000	3.320
Rmeas	0.346	0.086	1.663
Rpim	0.175	0.043	0.832
Total number of observations	33246	1654	1654
Number of reflections	8682	448	425
<I/σ(I)>	3.6	16.4	0.7
Completeness [%]	99.3	99.1	99.5
Redundancy	3.8	3.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	0.1 M Bis-Tris pH 5.7, 25-30% (w/v) PEG 3350