7KY0

Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020

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	2020-08-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97880
Spacegroup name	P 1 21 1
Unit cell lengths	70.221, 100.729, 86.789
Unit cell angles	90.00, 101.07, 90.00

Refinement procedure

Resolution	68.920 - 3.100
R-factor	0.2404
Rwork	0.238
R-free	0.29250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
RMSD bond length	0.011
RMSD bond angle	1.336
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.920	68.930	3.160
High resolution limit [Å]	3.100	8.420	3.100
Rmeas	0.372	0.107	0.913
Rpim	0.190	0.053	0.454
Total number of observations	83654	3949	3792
Number of reflections	21029	1063	1022
<I/σ(I)>	3	11.5	0.6
Completeness [%]	97.4	94.9	93.7
Redundancy	4	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350