8FV4

EGFR(T790M/V948R) in complex with compound 2 (LN5993)

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	2022-04-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	70.606, 100.485, 87.318
Unit cell angles	90.00, 102.32, 90.00

Refinement procedure

Resolution	65.030 - 2.200
R-factor	0.2039
Rwork	0.202
R-free	0.26110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.010
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.030	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.073	0.436
Rmeas	0.087	0.517
Rpim	0.046	0.274
Total number of observations	202066	10252
Number of reflections	59580	2980
<I/σ(I)>	9.7	1
Completeness [%]	98.5
Redundancy	3.4	3.4
CC(1/2)	0.997	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	298	0.1 M Bis-Tris pH 5.7, 30% PEG 3350