9D3W

CRYSTAL STRUCTURE OF EGFR(L858R/T790M/C797S) IN COMPLEX WITH AUR-8250

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	2021-10-21
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.99999
Spacegroup name	I 2 3
Unit cell lengths	145.646, 145.646, 145.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.820 - 2.530
Rwork	0.271
R-free	0.31000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.832	2.570
High resolution limit [Å]	2.530	2.530
Rmerge	0.124	2.836
Rmeas	0.126	2.891
Rpim	0.025	0.562
Number of reflections	15858	865
<I/σ(I)>	19.03	1.391
Completeness [%]	91.2
Redundancy	24.82
CC(1/2)	0.999	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.7	294	0.96 M SUCCINIC ACID, 1.0 %(W/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000, 0.1 M HEPES