5VQ0

Crystal structure of human KRAS G12A mutant in complex with GDP (EDTA soaked)

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	92.766, 92.766, 118.415
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.480 - 2.300
R-factor	0.2194
Rwork	0.216
R-free	0.27290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.376
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]	66.480	46.380	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.046	0.017	0.150
Rmeas	0.050	0.022	0.019
Rpim	0.021	0.009	0.008
Number of reflections	16807
<I/σ(I)>	23.5
Completeness [%]	99.4	85	100
Redundancy	5.6	5.2	5.7
CC(1/2)	0.999	1.000	0.991

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, 26% PEG 3,350