6CU6

Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b

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	67.790, 83.295, 86.040
Unit cell angles	90.00, 110.10, 90.00

Refinement procedure

Resolution	50.580 - 1.500
R-factor	0.2031
Rwork	0.202
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	GMPPNP-bound KRAS4B
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.580	50.580	1.590
High resolution limit [Å]	1.500	4.470	1.500
Rmerge	0.048	0.036	0.873
Rmeas	0.061	0.046	1.129
Total number of observations	317030
Number of reflections	70088	5043	21255
<I/σ(I)>	8.93	24.05	0.91
Completeness [%]	95.5	94.6	92
Redundancy	2.325	2.34	2.28
CC(1/2)	0.997	0.995	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2.1 M Sodium Malonate pH 7.5, 40 mM Dimethyloctylphosphine oxide