6V66

EGFR(T790M/V948R) in complex with LN2899

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)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	71.480, 102.448, 87.422
Unit cell angles	90.00, 102.78, 90.00

Refinement procedure

Resolution	85.260 - 1.790
R-factor	0.1873
Rwork	0.185
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
Data reduction software	xia2
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	102.520	102.520	1.840
High resolution limit [Å]	1.790	8.010	1.790
Rmerge	0.109	0.039	0.920
Rmeas	0.117	0.042	0.992
Rpim	0.044	0.016	0.369
Total number of observations	802493	9770	60218
Number of reflections	115206	1353	8503
<I/σ(I)>	9.6	29.7	1.9
Completeness [%]	99.7	100	100
Redundancy	7	7.2	7.1
CC(1/2)	0.998	0.999	0.570

Crystallization Conditions

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