9C3K

Crystal structure of GDP-bound KRAS G12D/M67R: Suppressing G12D oncogenicity via second-site M67R mutation

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	2019-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 3
Unit cell lengths	84.630, 84.630, 41.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.870 - 1.700
R-factor	0.1836
Rwork	0.170
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	18.870	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.074	0.041	0.747
Rmeas	0.083	0.045	0.838
Number of reflections	36795	390	2745
<I/σ(I)>	12	23.63	2.17
Completeness [%]	99.9	94	99.9
Redundancy	5.208	5.595	4.985
CC(1/2)	0.997	0.998	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NH4 Acetate; 2.2 M (NH4)2SO4