5VPI

Crystal structure of human KRAS G12A mutant 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	94.792, 94.792, 121.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.020 - 1.620
R-factor	0.1877
Rwork	0.186
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.606
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]	68.020	28.483	1.710
High resolution limit [Å]	1.620	5.120	1.620
Rmerge		0.026	0.889
Rmeas	0.099	0.036	1.116
Rpim	0.042	0.015	0.477
Number of reflections	51590
<I/σ(I)>	9.2	23.8	0.9
Completeness [%]	99.7	92.1	100
Redundancy	5.6	5.5	5.5

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