9GHT

Crystal Structure of EGFR-WT in Complex with BI-4020

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0000
Spacegroup name	I 2 3
Unit cell lengths	147.650, 147.650, 147.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.620 - 2.600
R-factor	0.1995
Rwork	0.198
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.620	2.700
High resolution limit [Å]	2.600	2.600
Rmeas	0.050	1.038
Number of reflections	16618	1744
<I/σ(I)>	20.07	2.68
Completeness [%]	99.9	100
Redundancy	10.13
CC(1/2)	1.000	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.5 K-Na-tartrate, 100 mM Na-MES (pH 7.0), 4.3 mg/mL EGFR-WT (im 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0, 1 ul reservoir + 1 ul solution) Soaking-Experiment