9U8V

Crystal structure of KRAS-G12D/Y96S 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	2024-09-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	H 3 2
Unit cell lengths	92.667, 92.667, 120.554
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.210 - 1.570
R-factor	0.1772
Rwork	0.176
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us4
RMSD bond length	0.007
RMSD bond angle	1.071
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	1.600
High resolution limit [Å]	1.570	4.260	1.570
Rmerge	0.190	0.115	1.369
Rmeas	0.195	0.119	1.445
Rpim	0.045	0.028	0.455
Number of reflections	27993	1497	1387
<I/σ(I)>	5.4
Completeness [%]	100.0	100	99.9
Redundancy	17.4	18.7	9.5
CC(1/2)	1.000	0.990	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M SPG buffer pH 7.0, 25% (w/v) PEG 1500