9NF2

KRAS G12D Mutant KRAS 1-169 at 298 K bound to MRTX-1133 and GMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	298
Detector technology	PIXEL
Collection date	2024-02-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	40.542, 51.944, 91.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.900 - 1.700
R-factor	0.1861
Rwork	0.183
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.901
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.068
Rmeas		0.268
Rpim	0.019
Number of reflections	21147	5282
<I/σ(I)>	4.2
Completeness [%]	96.5
Redundancy	6.7
CC(1/2)	1.000	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG4000, Bis-Tris, pH 5.5, sodium acetate, 2-propanol