7U9A

EGFR in complex with a macrocyclic inhibitor

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	145.825, 145.825, 145.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.110 - 2.600
R-factor	0.1957
Rwork	0.194
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vhp
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]	103.110	103.190	2.650
High resolution limit [Å]	2.600	7.060	2.600
Rmeas	0.125	0.058	1.391
Rpim	0.055	0.026	0.606
Total number of observations	80669	4015	3989
Number of reflections	16002	855	778
<I/σ(I)>	10.4	29.4	1
Completeness [%]	99.9	99.2	100
Redundancy	5	4.7	5.1

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