36OI

Tri-complex of Compound 1, KRAS G13C, and CypA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97624
Spacegroup name	P 1 21 1
Unit cell lengths	48.050, 105.080, 66.090
Unit cell angles	90.00, 90.93, 90.00

Refinement procedure

Resolution	36.700 - 1.470
R-factor	0.1939
Rwork	0.192
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.101
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.700	1.490
High resolution limit [Å]	1.470	1.470
Rmerge	0.079	1.967
Rpim	0.047	1.128
Number of reflections	109128	3609
<I/σ(I)>	7.43	0.63
Completeness [%]	98.2
Redundancy	3.8
CC(1/2)	0.997	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl