9GL8

EGFR Exon20 insertion mutant NPG bound with STX-721

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	C 2 2 21
Unit cell lengths	40.291, 106.741, 175.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.626 - 1.632
R-factor	0.1885
Rwork	0.187
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.626	34.626	1.852
High resolution limit [Å]	1.630	3.968	1.632
Rmerge	0.100	0.059	1.183
Rmeas	0.104	0.062	1.238
Rpim	0.029	0.018	0.356
Number of reflections	35208	3521	3521
<I/σ(I)>	13.48	35.12	1.98
Completeness [%]	92.6	100	63.5
Redundancy	13.09	12.47	11.68
CC(1/2)	0.998	0.997	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Potassium Chloride, 0.1 Magnesium Acetate, 0.05 M MES-NaOH pH 6.5, 10% w/v PEG 8000