9C40

Crystal structure of GDP-bound KRAS G12D/V103Y: Suppressing G12D oncogenicity via second-site V103Y 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	2019-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.9791
Spacegroup name	P 3
Unit cell lengths	85.940, 85.940, 41.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.970 - 1.800
R-factor	0.18
Rwork	0.172
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us4
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]	50.000	50.000	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.059	0.037	0.712
Rmeas	0.067	0.042	0.805
Number of reflections	31943	352	2375
<I/σ(I)>	14.5	29.26	2.47
Completeness [%]	99.8	99.7	100
Redundancy	4.584	4.764	4.627
CC(1/2)	0.997	0.998	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Potassium Nitrate, 2.2 M Ammonium Sulfate