5VPY

Crystal structure of human KRAS G12A mutant in complex with GppNHp

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	94.609, 94.609, 120.808
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.810 - 2.000
R-factor	0.1902
Rwork	0.188
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.585
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]	67.810	38.800	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.136	0.047	0.792
Rmeas	0.151	0.071	0.053
Rpim	0.065	0.030	0.023
Number of reflections	27195
<I/σ(I)>	7.7
Completeness [%]	99.9	95.3	100
Redundancy	5.3	5.1	5.2
CC(1/2)	0.993	0.996	0.613

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