9GHS

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

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	2021-10-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9998
Spacegroup name	I 2 3
Unit cell lengths	146.380, 146.380, 146.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.260 - 2.600
R-factor	0.1867
Rwork	0.186
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.608
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]	42.260	2.700
High resolution limit [Å]	2.600	2.600
Rmeas	0.081	1.344
Number of reflections	16187	1688
<I/σ(I)>	18.55	1.99
Completeness [%]	100.0	100
Redundancy	10.14	10.86
CC(1/2)	0.999	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.6 K-Na-tartrate, 100 mM Na-MES (pH 6.5), 5.5 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