9C3V

Crystal structure of GDP-bound KRAS G12D/D54R: Suppressing G12D oncogenicity via second-site D54R 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	2020-02-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	.9791
Spacegroup name	P 3
Unit cell lengths	82.746, 82.746, 40.677
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.660 - 2.510
R-factor	0.2046
Rwork	0.197
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us4
RMSD bond length	0.007
RMSD bond angle	1.041
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]	200.000	71.660	2.580
High resolution limit [Å]	2.510	11.230	2.510
Rmerge	0.079	0.037	0.716
Rmeas	0.096	0.043	0.883
Number of reflections	10371	116	784
<I/σ(I)>	8.13
Completeness [%]	97.2
Redundancy	2.9
CC(1/2)	0.997	0.999	0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Di-sodium Phosphate, 2.2 M Ammonium Sulfate