9KLW

Crystal structure of EGFR T790M, L858R mutant complexed with N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide

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	2020-07-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	I 2 3
Unit cell lengths	145.989, 145.989, 145.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.230 - 2.670
R-factor	0.19993
Rwork	0.197
R-free	0.25654
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Outsourced analysis.
RMSD bond length	0.011
RMSD bond angle	1.432
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.1.7))
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.230	2.710
High resolution limit [Å]	2.670	2.670
Number of reflections	14821	750
<I/σ(I)>	20.2	1.3
Completeness [%]	99.3
Redundancy	24.6
CC(1/2)	0.999	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.25	293	8.0% v/v ethylene glycol; 0.1 M HEPES pH 7.25; 10% w/v PEG 10K