8EPW

Crystal Structure of KRAS4b-G13D (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-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 2 21 21
Unit cell lengths	44.480, 66.800, 71.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.770 - 2.000
R-factor	0.1947
Rwork	0.192
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vjj
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.770	48.770	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.103	0.047	0.616
Rmeas	0.110	0.051	0.654
Total number of observations	129834
Number of reflections	14925	198	1077
<I/σ(I)>	14.31	31.04	3.87
Completeness [%]	99.9	98.5	99.8
Redundancy	8.699	7.172	8.833
CC(1/2)	0.998	0.998	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 M potassium bromide, 30% PEG 2000 MME