11FT

Structure of GDP-bound KRAS-G12C/Q99L, 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	P 21 21 21
Unit cell lengths	39.207, 40.567, 92.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.190 - 1.160
R-factor	0.1456
Rwork	0.144
R-free	0.17640
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]	28.190	1.180
High resolution limit [Å]	1.160	1.160
Rmerge	0.065	0.410
Rmeas	0.068	0.447
Rpim	0.020	0.176
Number of reflections	49307	1762
<I/σ(I)>	18.5	4.2
Completeness [%]	95.3	62.2
Redundancy	10.9	6.3
CC(1/2)	0.999	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% w/v PEG MME 5000, 0.1 M sodium acetate pH 4.5