8EBZ

Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution

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	2018-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	120.930, 38.230, 36.320
Unit cell angles	90.00, 103.28, 90.00

Refinement procedure

Resolution	35.349 - 1.200
R-factor	0.1603
Rwork	0.159
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gft
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.349	35.349	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.044	0.037	0.188
Rmeas	0.049	0.041	0.208
Total number of observations	276904
Number of reflections	48372	583	3332
<I/σ(I)>	20.33	34.46	7.69
Completeness [%]	95.3	94.8	89.3
Redundancy	5.724	5.619	5.498
CC(1/2)	0.999	0.996	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris pH 8.5, 20% PEG 400, 20% PEG 8000, 50 mM Magnesium Chloride