9KL4

Crystal structure of EGFR 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	2020-07-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99981
Spacegroup name	I 2 3
Unit cell lengths	146.920, 146.920, 146.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.890 - 2.320
R-factor	0.18863
Rwork	0.186
R-free	0.23801
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Analysis by outsourcing.
RMSD bond length	0.012
RMSD bond angle	1.584
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]	103.890	2.370
High resolution limit [Å]	2.320	2.320
Number of reflections	22851	1163
<I/σ(I)>	21.8
Completeness [%]	100.0	100
Redundancy	24.7
CC(1/2)	1.000	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	1.2 M K/Na-tartrate, 0.1 M HEPES pH 7.0