9DF4

EGFR Exon20 insertion mutant SVD bound with STX-721

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	C 2 2 21
Unit cell lengths	40.020, 104.870, 176.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.130 - 1.780
R-factor	0.16748
Rwork	0.166
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.442
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.130	1.820
High resolution limit [Å]	1.780	1.780
Rmerge	0.088	0.837
Rmeas	0.092	0.895
Rpim	0.026	0.307
Total number of observations		15900
Number of reflections	36167	1992
<I/σ(I)>	15.9	2.2
Completeness [%]	99.8
Redundancy	12.1	8
CC(1/2)	0.998	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.8 microliters of 5.9 mg/mL was mixed 1:1 with 600 mM NaCl, 100 mM MES pH 6.2, and 16%W/V PEG4000. 0.2 microliters of a 10 mM Taurine solution was then added to the drop