9U8X

Crystal structure of KRAS-G12D/R68M 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	2024-04-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 63
Unit cell lengths	90.553, 90.553, 36.844
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.350 - 1.650
R-factor	0.223
Rwork	0.221
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.250
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	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.107	0.064	1.309
Rmeas	0.111	0.066	1.427
Rpim	0.026	0.015	0.535
Total number of observations	358895
Number of reflections	20849	1103	991
<I/σ(I)>	5.3
Completeness [%]	99.7	100	94
Redundancy	17.2	18.6	6.3
CC(1/2)	0.997	0.998	0.282

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M Sodium fluoride, 0.1 M Bis tris propane pH 6.5, 20% (w/v) PEG 3350