5VQ6

Crystal structure of human WT-KRAS in complex with GTP-gamma-S

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	95.117, 95.117, 121.417
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.170 - 1.990
R-factor	0.1915
Rwork	0.190
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.449
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]	68.170	68.170	2.100
High resolution limit [Å]	1.990	6.290	1.990
Rmerge	0.132	0.036	0.874
Rmeas	0.145	0.051	0.040
Rpim	0.060	0.021	0.017
Total number of observations	163070	4675	23746
Number of reflections	28089
<I/σ(I)>	11.4	32	2.5
Completeness [%]	99.9	97.7	100
Redundancy	5.8	5.3	5.8
CC(1/2)	0.996	0.999	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350