6XHA

Crystal Structure of KRAS-G12V (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-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 6 2 2
Unit cell lengths	132.100, 132.100, 90.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.300 - 2.870
R-factor	0.2219
Rwork	0.217
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	KRAS:RAF1-RBDCRD (crystal form II)
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.970
High resolution limit [Å]	2.870	2.870
Rmerge	0.071	0.885
Rmeas	0.079	0.965
Number of reflections	10931	1720
<I/σ(I)>	16.04	2.53
Completeness [%]	98.5	99.7
Redundancy	5.8	6.2
CC(1/2)	0.998	0.827

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 MgCl2, 8% PGA, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate