6XGV

Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF

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	2019-02-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 6 2 2
Unit cell lengths	132.750, 132.750, 89.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.360 - 2.110
R-factor	0.1859
Rwork	0.184
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xhb
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.360	48.360	2.230
High resolution limit [Å]	2.100	6.250	2.100
Rmerge	0.082	0.033	1.172
Rmeas	0.086	0.034	1.217
Total number of observations	354688
Number of reflections	27312	1169	4174
<I/σ(I)>	18.69	55.17	2.16
Completeness [%]	99.1	97.3	95.9
Redundancy	12.987	11.366	13.631
CC(1/2)	0.999	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM sodium cacodylate pH 6.5, 700 mM sodium acetate, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate