6WAK

A crystal structure of EGFR(T790M/V948R) in complex with LN3754

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	72.472, 103.371, 87.249
Unit cell angles	90.00, 101.24, 90.00

Refinement procedure

Resolution	85.580 - 2.400
R-factor	0.219
Rwork	0.218
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p1d
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.590	85.590	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.150	0.063	0.775
Rmeas	0.186	0.078	0.979
Rpim	0.108	0.046	0.588
Total number of observations	145758	1798	10686
Number of reflections	48288	577	3551
<I/σ(I)>	7.3	13.1	3
Completeness [%]	97.6	97.7	96.7
Redundancy	3	3.1	3
CC(1/2)	0.959	0.983	0.311

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	25% PEG-3350, 0.1 M BisTris