8FV3

EGFR(T790M/V948R) in complex with compound 1 (LN4503)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	72.370, 103.224, 87.140
Unit cell angles	90.00, 101.48, 90.00

Refinement procedure

Resolution	65.800 - 2.100
R-factor	0.1907
Rwork	0.190
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.153
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.820	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.091	0.631
Rmeas	0.101	0.702
Rpim	0.044	0.303
Total number of observations		22753
Number of reflections	73374	4479
<I/σ(I)>	10.5	2.5
Completeness [%]	99.9
Redundancy	5.1	5.1
CC(1/2)	0.996	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Bis-Tris (100mM) at pH 5.5, 25% PEG3350, Water and TCEP (5mM)