9U90

Crystal structure of KRAS-G12D/E62K 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 21 21 21
Unit cell lengths	41.226, 51.682, 67.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.810 - 1.200
R-factor	0.173
Rwork	0.172
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.061
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	0.104	0.072	0.358
Rmeas	0.108	0.075	0.387
Rpim	0.030	0.022	0.145
Total number of observations	555895
Number of reflections	46007	2504	2230
<I/σ(I)>	6.4
Completeness [%]	100.0	100	99.7
Redundancy	12.1	11.9	6.9
CC(1/2)	0.992	0.993	0.928

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