6VJJ

Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) 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	2016-04-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 2 21 21
Unit cell lengths	44.132, 67.572, 71.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.030 - 1.400
R-factor	0.1659
Rwork	0.165
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g0n
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.030	49.030	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.064	0.037	0.687
Rmeas	0.072	0.041	0.782
Total number of observations	387827
Number of reflections	81103	912	6024
<I/σ(I)>	12.58	31.4	2.18
Completeness [%]	99.9	99.8	100
Redundancy	4.782	4.839	4.402
CC(1/2)	0.998	0.998	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.09M Halogens, 0.1M Imidazole.MES pH 6.5, 37.5% MPD, PEG 1000 and PEG 3350