11ES

Structure of GDP-bound KRAS-G12C/H95Q, 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	2025-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	H 3 2
Unit cell lengths	94.228, 94.228, 122.316
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.830 - 1.350
R-factor	0.1849
Rwork	0.183
R-free	0.21250
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]	30.830	1.380
High resolution limit [Å]	1.350	1.350
Rmerge	0.094
Rmeas	0.097
Rpim	0.022	0.828
Number of reflections	45930	2849
<I/σ(I)>	13.5
Completeness [%]	99.7	98.8
Redundancy	19.8	17.7
CC(1/2)	1.000	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.6 M potassium sodium tartrate, 0.1 M MES pH 6.5