6PQ3

Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 63
Unit cell lengths	82.900, 82.900, 41.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.450 - 1.750
R-factor	0.1827
Rwork	0.179
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.450	41.450	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.049	0.020	0.821
Rmeas	0.052	0.021	0.871
Total number of observations	146354
Number of reflections	16461	203	1219
<I/σ(I)>	21.59	70.36	2.67
Completeness [%]	100.0	99.5	100
Redundancy	8.891	8.621	8.928
CC(1/2)	1.000	1.000	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 mM lithium acetate and 2.2 M ammonium sulfate