9C3M

Crystal structure of GDP-bound KRAS G12D/F28K: Suppressing G12D oncogenicity via second-site F28K 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	2010-10-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.9791
Spacegroup name	P 1
Unit cell lengths	30.751, 39.132, 62.897
Unit cell angles	98.15, 86.32, 104.91

Refinement procedure

Resolution	34.130 - 1.740
R-factor	0.1851
Rwork	0.183
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us4
RMSD bond length	0.007
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.490	37.490	1.790
High resolution limit [Å]	1.740	7.780	1.740
Rmerge	0.116	0.036	0.851
Rmeas	0.137	0.042	0.992
Number of reflections	26971	307	1997
<I/σ(I)>	8.99
Completeness [%]	93.7
Redundancy	3.6
CC(1/2)	0.994	0.998	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.2 M (NH4)2SO4; 0.1 M Na3Cit pH 5