36OM

Crystal structure of KRAS G13C complexed with GMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.97625
Spacegroup name	C 1 2 1
Unit cell lengths	63.740, 38.540, 69.750
Unit cell angles	90.00, 112.79, 90.00

Refinement procedure

Resolution	29.380 - 1.250
R-factor	0.1616
Rwork	0.160
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.206
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.380	1.280
High resolution limit [Å]	1.250	1.250
Rmerge	0.063	1.576
Rpim	0.037	0.945
Number of reflections	42745	2824
<I/σ(I)>	7.74	1.01
Completeness [%]	98.5
Redundancy	3.7
CC(1/2)	0.998	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M TRIS 7.5 pH, 21% PEG 3350, 0.008 M CoCl2, 0.084 M MgCl2 (Salt)