6XHB

Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II)

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	2018-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 6 2 2
Unit cell lengths	133.984, 133.984, 89.275
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.650 - 2.500
R-factor	0.19
Rwork	0.186
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vjj 1far
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.650	48.650	2.650
High resolution limit [Å]	2.500	7.420	2.500
Rmerge	0.089	0.028	0.860
Rmeas	0.097	0.031	0.937
Total number of observations	102583
Number of reflections	16642	707	2645
<I/σ(I)>	14.03	47.08	1.91
Completeness [%]	98.4	93.4	99.2
Redundancy	6.164	5.409	6.265
CC(1/2)	0.999	0.999	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM sodium cacodylate pH 6.5, 200 mM sodium citrate, 15% 2-propanol, 0.25% (w/v) n-octyl-beta-D-glucoside, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate, and 0.25% (w/v) n-dodecyl-beta-D-maltoside