6MBQ

Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	36.020, 37.910, 99.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.448 - 1.350
R-factor	0.1365
Rwork	0.134
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gft
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.448	35.448	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.048	0.026	0.257
Rmeas	0.052	0.029	0.280
Total number of observations	208847
Number of reflections	30472	397	2168
<I/σ(I)>	24.03	44.8	6.7
Completeness [%]	98.3	93	95.8
Redundancy	6.854	5.733	6.295
CC(1/2)	0.999	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	200 mM Ammonium Fluoride, 20% PEG 3350