9U8Y

Crystal structure of KRAS-G12D/G13D mutant in complex with GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	61.054, 34.412, 59.875
Unit cell angles	90.00, 103.28, 90.00

Refinement procedure

Resolution	29.780 - 1.730
R-factor	0.2181
Rwork	0.216
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.740
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.730	4.690	1.730
Rmerge	0.134	0.087	0.636
Rmeas	0.146	0.096	0.711
Rpim	0.058	0.040	0.311
Total number of observations	76693
Number of reflections	12681	683	607
<I/σ(I)>	5.9
Completeness [%]	98.6	100	93.4
Redundancy	6	6.1	4.6
CC(1/2)	0.963	0.934	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M MMT buffer pH 5.0, 25% (w/v) PEG 1500