5VQ2

Crystal structure of human WT-KRAS in complex with GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-05
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	H 3
Unit cell lengths	94.919, 94.919, 120.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.910 - 1.960
R-factor	0.1991
Rwork	0.197
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.516
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.910	28.285	2.070
High resolution limit [Å]	1.960	6.200	1.960
Rmerge		0.048	0.724
Rmeas	0.169	0.057	0.899
Rpim	0.073	0.025	0.401
Number of reflections	29024
<I/σ(I)>	6.6	13.4	0.9
Completeness [%]	99.8	93.4	100
Redundancy	5.3	5.2	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 28% PEG 3,350