36OL

Crystal Structure of KRAS WT complexed with GMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	48.890, 62.990, 119.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.330 - 2.050
R-factor	0.1832
Rwork	0.180
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.842
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.330	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.187	1.200
Rpim	0.064	0.564
Number of reflections	23880	1807
<I/σ(I)>	8.3	2.1
Completeness [%]	100.0
Redundancy	10
CC(1/2)	0.995	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M LiCl, 25% PEG 8000