9S84

Crystal structure of KRAS G12D D38C (GDP-bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	193
Detector technology	PIXEL
Collection date	2023-03-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.54184
Spacegroup name	P 41 21 2
Unit cell lengths	66.978, 66.978, 89.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.618 - 1.640
R-factor	0.14614
Rwork	0.144
R-free	0.18520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.543
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.618	1.710
High resolution limit [Å]	1.600	1.640
Number of reflections	23560	1178
<I/σ(I)>	19.2
Completeness [%]	95.8
Redundancy	16.1
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium nitrate, 20% PEG 3350