6V6K

EGFR(T790M/V948R) in complex with LN2057

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	2019-06-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	71.599, 102.455, 174.043
Unit cell angles	90.00, 101.25, 90.00

Refinement procedure

Resolution	85.350 - 2.200
R-factor	0.2152
Rwork	0.214
R-free	0.23940
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]	85.360	85.360	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.081	0.027	0.552
Rmeas	0.097	0.032	0.663
Rpim	0.052	0.017	0.363
Total number of observations	369134	4126	27006
Number of reflections	117626	1322	8840
<I/σ(I)>	7.8	16.6	2
Completeness [%]	94.1	89.4	95.9
Redundancy	3.1	3.1	3.1
CC(1/2)	0.998	0.999	0.820

Crystallization Conditions

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