11FL

Structure of GDP-bound KRAS-G12C/Y96D, a Switch-II Pocket Inhibitor Resistance Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 3 2 1
Unit cell lengths	77.702, 77.702, 55.871
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.990 - 1.500
R-factor	0.1888
Rwork	0.187
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	EPMR (16.07.1)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.990	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.112
Rmeas	0.115
Rpim	0.026	0.676
Number of reflections	31542	2821
<I/σ(I)>	15.4
Completeness [%]	99.8	99.5
Redundancy	19.8	16.4
CC(1/2)	1.000	0.307

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2 M ammonium sulfate, 2% v/v PEG 400, 0.1 M HEPES pH 7.5