6XGU

Crystal Structure of KRAS-Q61R (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	132.320, 132.320, 89.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.320 - 2.700
R-factor	0.1922
Rwork	0.187
R-free	0.23570
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]	48.320	48.320	2.950
High resolution limit [Å]	2.700	8.220	2.780
Rmerge	0.069	0.034	0.834
Rmeas	0.073	0.036	0.870
Number of reflections	13291	547	1912
<I/σ(I)>	25.35	63.4	2.96
Completeness [%]	99.8	98.4	99.5
Redundancy	12.125	10.223	12.105
CC(1/2)	0.998	0.998	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	100 mM Tris 7.8, 200 mM KBr, 200 mM KSCN, 3% PGA, 0.35 mM D-myo-phosphatidylinositol 3,4,5-triphosphate