9U8Z

Crystal structure of KRAS-G12D/Q61H 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	P 21 21 21
Unit cell lengths	41.224, 51.826, 68.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.170 - 1.200
R-factor	0.1757
Rwork	0.175
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.479
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	1.220
High resolution limit [Å]	1.200	3.260	1.200
Rmerge	0.175	0.145	0.706
Rmeas	0.182	0.151	0.742
Rpim	0.050	0.043	0.224
Total number of observations	578306
Number of reflections	45904	2523	2199
<I/σ(I)>	5.8
Completeness [%]	98.9	100	97
Redundancy	12.6	11.9	10.3
CC(1/2)	0.988	0.985	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M MIB buffer pH 4.0, 25% (w/v) PEG 1500