6O36

Crystal structure of human KRAS P34R mutant in complex with GNP

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	2017-03-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	95.121, 35.117, 113.426
Unit cell angles	90.00, 111.00, 90.00

Refinement procedure

Resolution	44.400 - 2.000
R-factor	0.1951
Rwork	0.194
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.002
RMSD bond angle	0.475
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	2.030
High resolution limit [Å]	2.000	2.000
Rpim	0.044
Number of reflections	44831	1478
<I/σ(I)>	13.72	2.44
Completeness [%]	93.6	61.8
Redundancy	4.8	2.5
CC(1/2)	0.971	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	1.6-1.8 M sodium/potassium phosphate, pH 8.2