7UKW

EGFR(T790M/V948R) in complex with Lazertinib (YH25448)

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	2021-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	71.048, 101.796, 87.349
Unit cell angles	90.00, 102.37, 90.00

Refinement procedure

Resolution	65.350 - 2.600
R-factor	0.1977
Rwork	0.195
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wxn
Data reduction software	DIALS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.350	65.350	2.700
High resolution limit [Å]	2.590	8.970	2.590
Rmerge	0.183	0.105	0.705
Rmeas	0.212	0.121	0.814
Rpim	0.106	0.059	0.401
Total number of observations	141225	3631	16263
Number of reflections	37527	954	4321
<I/σ(I)>	4.8	8.7	1.8
Completeness [%]	99.2	99.8	93.8
Redundancy	3.8	3.8	3.8
CC(1/2)	0.979	0.985	0.818

Crystallization Conditions

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