6P1L

Crystal structure of EGFR in complex with EAI045

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	72.600, 103.150, 87.100
Unit cell angles	90.00, 101.18, 90.00

Refinement procedure

Resolution	58.609 - 2.800
R-factor	0.2027
Rwork	0.201
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d41
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.610	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.116	0.673
Rmeas	0.139	0.819
Rpim	0.076	0.459
Total number of observations	91347	6038
Number of reflections	30003	2141
<I/σ(I)>	8.4	1.9
Completeness [%]	96.5	93.5
Redundancy	3	2.8
CC(1/2)	0.991	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Bis-Tris ,26% PEG 8000