6MBU

Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3)

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	2015-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 3
Unit cell lengths	84.185, 84.185, 41.916
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.092 - 1.450
R-factor	0.136
Rwork	0.134
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lpk
RMSD bond length	0.003
RMSD bond angle	0.666
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.092	42.092	1.540
High resolution limit [Å]	1.450	4.330	1.450
Rmerge	0.066	0.050	0.362
Rmeas	0.091	0.070	0.485
Total number of observations	161904
Number of reflections	58509	3966	17520
<I/σ(I)>	6.35	12.97	1.59
Completeness [%]	92.7	89.4	92
Redundancy	1.482	1.427	1.504
CC(1/2)	0.990	0.982	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M MgCl2, 0.1 M TRIS HCl pH 8.5, 30% PEG 4K