11FB

Structure of GDP-bound KRAS-G12C/Y96C, a Switch-II Pocket Inhibitor Resistance Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	92.837, 92.837, 119.185
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.180 - 1.500
R-factor	0.1777
Rwork	0.177
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MoRDa
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.180	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.102
Rmeas	0.107
Rpim	0.037	0.743
Number of reflections	31544	5082
<I/σ(I)>	16.5
Completeness [%]	99.2	95.7
Redundancy	14.9	10.4
CC(1/2)	0.999	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% v/v glycerol ethoxylate, 3% v/v polyethyleneimine, 0.1 M Tris pH 8.5