8F1Y

EGFR kinase in complex with poziotinib

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	2021-07-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	I 2 3
Unit cell lengths	145.572, 145.572, 145.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.430 - 2.750
R-factor	0.2061
Rwork	0.205
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gs2
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.430	59.440	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmeas	0.157	0.087	1.464
Rpim	0.069	0.040	0.638
Total number of observations	67815	3344	3518
Number of reflections	13469	706	676
<I/σ(I)>	8.3	19.8	1.1
Completeness [%]	99.7	97.1	100
Redundancy	5	4.7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH=6.5, 1.1 M Sodium Citrate