11GH

Structure of GMPPNP-bound KRAS-G12C/Y96D, a Switch-II Pocket Inhibitor Resistance Mutant, in Complex with the RAF1 RBD-CRD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 6 2 2
Unit cell lengths	133.419, 133.419, 89.928
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.610 - 2.500
R-factor	0.213
Rwork	0.210
R-free	0.25900
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]	48.610	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.232
Rmeas	0.235
Rpim	0.040	0.324
Number of reflections	16875	2356
<I/σ(I)>	12.2	1.2
Completeness [%]	98.6	96
Redundancy	34.7
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	15% v/v PEG 400, 80 mM magnesium acetate, 50 mM sodium cacodylate pH 6.5