9N9N

Crystal structure of KRAS(G12C) bound to the cyclic peptide UNC10415730A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-08
Detector	RAYONIX MX-300
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	61.501, 73.343, 76.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.290 - 1.240
R-factor	0.1745
Rwork	0.174
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.705
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.290	1.290
High resolution limit [Å]	1.240	1.240
Rmerge	0.068	1.766
Rmeas	0.073
Rpim	0.029	0.752
Number of reflections	97900	5556
<I/σ(I)>	13.89	1.05
Completeness [%]	91.1
Redundancy	6.6
CC(1/2)	0.999	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.15 M Potassium Bromide, 30 % (w/v) PEG 2000 MME