11QE

Crystal structure of GDP-bound KRAS G12D/I55E: Suppressing G12D oncogenicity via second-site I55E mutation

Replaces:  9C3L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 3 2 1
Unit cell lengths	78.680, 78.680, 56.146
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.330 - 1.230
R-factor	0.1862
Rwork	0.185
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (2.0-5936)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.160	56.160	1.300
High resolution limit [Å]	1.230	3.680	1.230
Rmerge	0.066	0.039	0.766
Rmeas	0.068	0.048	0.988
Number of reflections	57669	1693	6656
<I/σ(I)>	20.9
Completeness [%]	98.7
Redundancy	18.8
CC(1/2)	0.999	0.993	0.559

Crystallization Conditions

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