9GHR

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

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	2021-09-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0000
Spacegroup name	I 2 3
Unit cell lengths	144.950, 144.950, 144.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.740 - 2.100
R-factor	0.182
Rwork	0.181
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.543
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]	38.740	2.200
High resolution limit [Å]	2.100	2.100
Rmeas	0.087	0.771
Number of reflections	29638	3818
<I/σ(I)>	15.99	3.32
Completeness [%]	100.0	100
Redundancy	10.53	10.98
CC(1/2)	0.998	0.887

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), 5.7 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