8STN

Crystal structure of KRAS-G12D/G75A mutant, GDP-bound

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	2022-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 3
Unit cell lengths	85.133, 85.133, 41.929
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.730 - 2.030
R-factor	0.16117
Rwork	0.160
R-free	0.18261
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.730	73.730	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.116	0.059	0.997
Rmeas	0.129	0.066	1.110
Number of reflections	22917	260	1678
<I/σ(I)>	8.52
Completeness [%]	99.7
Redundancy	5.13
CC(1/2)	0.991	0.997	0.417

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.2 M Ammonium Sulfate