7LC2

Crystal Structure of KRAS4b-Q61R (GMPPNP-bound) in complex with the RAS-binding domain (RBD) of SIN1

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	2017-08-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	150.000, 45.640, 91.780
Unit cell angles	90.00, 119.52, 90.00

Refinement procedure

Resolution	45.470 - 2.700
R-factor	0.2433
Rwork	0.238
R-free	0.28740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vjj
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]	45.470	45.470	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.102	0.049	1.006
Rmeas	0.111	0.053	1.088
Total number of observations	100465
Number of reflections	15142	521	2233
<I/σ(I)>	11.57	25.45	2.23
Completeness [%]	99.5	98.7	99.7
Redundancy	6.635	5.973	6.918
CC(1/2)	0.997	0.998	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	100mM MMT buffer (DL-malic acid, MES and Tris base in 1:2:2 ratio) pH 5, 25% PEG (polyethylene glycol) 1500