6MBT

Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2)

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	2015-12-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	66.287, 41.552, 115.380
Unit cell angles	90.00, 105.05, 90.00

Refinement procedure

Resolution	19.471 - 1.450
R-factor	0.1784
Rwork	0.177
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.005
RMSD bond angle	0.826
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.471	19.471	1.540
High resolution limit [Å]	1.450	4.250	1.450
Rmerge	0.049	0.026	0.394
Rmeas	0.067	0.035	0.538
Total number of observations	185913
Number of reflections	52619	3886	16328
<I/σ(I)>	8.42	20.92	1.83
Completeness [%]	94.1	92.7	96.1
Redundancy	1.868	1.96	1.842
CC(1/2)	0.997	0.997	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	6% 2-Propanol, 0.1 M Na acetate pH 4.5, 26% PEG MME 550