9U8W

Crystal structure of KRAS-G12D/Q99L 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	2024-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	63.553, 37.396, 66.214
Unit cell angles	90.00, 117.00, 90.00

Refinement procedure

Resolution	31.760 - 1.500
R-factor	0.185
Rwork	0.184
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us4
RMSD bond length	0.011
RMSD bond angle	1.344
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	1.530
High resolution limit [Å]	1.500	3.700	1.500
Rmerge	0.075	0.034	0.383
Rmeas	0.082	0.037	0.424
Rpim	0.032	0.015	0.178
Total number of observations	284295
Number of reflections	44392	3110	2918
<I/σ(I)>	6.8
Completeness [%]	99.2	100	98.6
Redundancy	6.4	6.3	5.5
CC(1/2)	0.995	0.997	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.01 M Zinc chloride, 0.1 M Sodium acetate pH 5.0, 20% (w/v) PEG 6000