6O46

Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97
Spacegroup name	P 63
Unit cell lengths	188.377, 188.377, 34.924
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.780 - 1.900
R-factor	0.1748
Rwork	0.173
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.017
RMSD bond angle	1.457
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14rc3_3199)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.067
Rpim	0.016
Number of reflections	56142	2454
<I/σ(I)>	39.7	2
Completeness [%]	99.0	86.3
Redundancy	16	3.1
CC(1/2)	0.936	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.8-2.0 M sodium/potassium phosphate, pH 8.0-8.4