5VQ1

Crystal structure of human KRAS Q61A mutant in complex with GDP

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	93.862, 93.862, 120.498
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.390 - 1.780
R-factor	0.181
Rwork	0.179
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.647
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]	67.390	33.690	1.880
High resolution limit [Å]	1.780	5.630	1.780
Rmerge	0.120	0.041	0.797
Rmeas	0.134	0.056	0.046
Rpim	0.058	0.024	0.020
Number of reflections	37921
<I/σ(I)>	8.5
Completeness [%]	99.9	98.2	100
Redundancy	5.3	5.2	5.2
CC(1/2)	0.995	0.997	0.614

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