6V5N

EGFR(T790M/V948R) in complex with LN2084

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	2018-07-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	71.100, 102.120, 87.380
Unit cell angles	90.00, 102.55, 90.00

Refinement procedure

Resolution	52.160 - 2.400
R-factor	0.194
Rwork	0.192
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.160	52.160	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.122	0.034	0.790
Rmeas	0.132	0.037	0.866
Rpim	0.050	0.014	0.350
Total number of observations	323558	3786	20023
Number of reflections	47153	561	3432
<I/σ(I)>	12.7	37.3	2
Completeness [%]	98.8	98.6	97.6
Redundancy	6.9	6.7	5.8
CC(1/2)	0.997	0.999	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Bis-Tris, 25% PEG3350