9C41

Crystal structure of GDP-bound KRAS G12D/E62Q: Suppressing G12D oncogenicity via second-site E62Q 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	2020-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.9791
Spacegroup name	P 3
Unit cell lengths	84.910, 84.910, 41.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.460 - 1.940
R-factor	0.14077
Rwork	0.139
R-free	0.16116
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us4
RMSD bond length	0.004
RMSD bond angle	1.062
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.990
High resolution limit [Å]	1.940	8.680	1.940
Rmerge	0.079	0.045	0.336
Rmeas	0.101	0.057	0.432
Number of reflections	24202	270	1866
<I/σ(I)>	7.99
Completeness [%]	96.7
Redundancy	2.3
CC(1/2)	0.986	0.991	0.541

Crystallization Conditions

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