8T72

Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion

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	2017-10-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	43.901, 102.066, 54.031
Unit cell angles	90.00, 113.77, 90.00

Refinement procedure

Resolution	44.500 - 1.600
R-factor	0.1939
Rwork	0.192
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.500	44.500	1.700
High resolution limit [Å]	1.600	4.770	1.600
Rmerge	0.062	0.044	0.886
Rmeas	0.069	0.049	0.989
Number of reflections	56159	2097	8976
<I/σ(I)>	11.59
Completeness [%]	97.5
Redundancy	5.1
CC(1/2)	0.998	0.997	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaBr, 20% PEG 3350