9DF3

EGFR Exon20 insertion mutant SVD bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-11
Detector	RAYONIX MX-300
Wavelength(s)	0.99984
Spacegroup name	C 2 2 21
Unit cell lengths	40.060, 107.240, 175.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.780 - 1.680
R-factor	0.17169
Rwork	0.170
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.429
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	1.730
High resolution limit [Å]	1.680	1.680
Rmerge	0.083	1.664
Rmeas	0.089	1.786
Rpim	0.033	0.645
Number of reflections	43682	2167
<I/σ(I)>	19.3	2.3
Completeness [%]	100.0	100
Redundancy	14.4
CC(1/2)	0.999	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.8 microliters 7.7 mg/mL protein mixed 1:1 with 100mM MES pH 6.2, 600 mM NaCl, 14% w/v PEG 4000. 0.2 microliters of 100 mM spermidine added to drop