9BGA

Tri-complex of Daraxonrasib (RMC-6236), KRAS G12C, 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 PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	65.560, 81.560, 127.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.670 - 1.410
R-factor	0.1886
Rwork	0.186
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.841
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.670	1.460
High resolution limit [Å]	1.410	1.410
Rmerge	0.085	3.011
Rmeas	0.089	3.131
Rpim	0.024	0.850
Number of reflections	131773	13050
<I/σ(I)>	13.56	0.89
Completeness [%]	100.0	99.87
Redundancy	13.3	13.3
CC(1/2)	0.999	0.339

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	28% PEG4000, 0.1 M Tris, pH 8