6M9W

Structure of Mg-free KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation

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	2015-11-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9892
Spacegroup name	P 3 2 1
Unit cell lengths	77.858, 77.858, 55.726
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.955 - 1.500
R-factor	0.1449
Rwork	0.142
R-free	0.18130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.959	42.959	1.590
High resolution limit [Å]	1.500	4.480	1.500
Rmerge	0.060	0.031	0.610
Rmeas	0.065	0.034	0.657
Total number of observations	226714
Number of reflections	31540	1267	5044
<I/σ(I)>	18.57	48.13	2.57
Completeness [%]	99.8	97.6	99.8
Redundancy	7.188	6.65	7.167
CC(1/2)	0.999	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	0.056 M NaPO4.H2O, 1.344 M K2PO4, pH 8.2