9GHV

Crystal Structure of EGFR-WT in Complex with Covalent Compound 13

This is a non-PDB format compatible entry.

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	2023-02-10
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9188
Spacegroup name	I 2 3
Unit cell lengths	145.700, 145.700, 145.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.940 - 2.500
R-factor	0.191
Rwork	0.190
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.577
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.940	2.600
High resolution limit [Å]	2.500	2.500
Rmeas	0.090	1.525
Number of reflections	17955	1977
<I/σ(I)>	17.03	1.94
Completeness [%]	99.9	100
Redundancy	9.8	10.58
CC(1/2)	0.999	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.3 K-Na-tartrate, 100 mM Na-MES (pH 7.5), 5.6 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