8HVA

Crystal structure of EGFR_TMX in complex with covalently bound compound 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-22
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.540562
Spacegroup name	I 2 3
Unit cell lengths	144.739, 144.739, 144.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.930 - 2.770
R-factor	0.24282
Rwork	0.242
R-free	0.25135
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5edq
RMSD bond length	0.007
RMSD bond angle	1.519
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.930	2.920
High resolution limit [Å]	2.770	2.770
Rmerge	0.246	2.621
Rmeas	0.269	2.835
Rpim	0.106	1.059
Total number of observations	78307
Number of reflections	12847	1879
<I/σ(I)>	7.8
Completeness [%]	99.0	99.8
Redundancy	6.1	6.8
CC(1/2)	0.989	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400