9GHU

Crystal Structure of EGFR-WT in Complex with Covalent Compound 10f

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	145.930, 145.930, 145.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.150 - 2.250
R-factor	0.1855
Rwork	0.184
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.550
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]	46.150	2.350
High resolution limit [Å]	2.250	2.250
Rmeas	0.085	1.479
Number of reflections	24649	1570
<I/σ(I)>	15.82	1.84
Completeness [%]	99.9	100
Redundancy	10.08	10.49
CC(1/2)	0.999	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.4 K-Na-tartrate, 100 mM Na-MES (pH 7.0), 4.5 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