9BGB

Tri-complex of Daraxonrasib (RMC-6236), KRAS Q61H, 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	65.150, 80.600, 127.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 1.680
R-factor	0.1998
Rwork	0.198
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.870
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]	39.640	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.113	2.831
Rmeas	0.121	3.025
Rpim	0.043	1.057
Number of reflections	76785	7556
<I/σ(I)>	10.46	0.81
Completeness [%]	99.6	99.39
Redundancy	7.6	8
CC(1/2)	0.999	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	29% PEG4000, 0.1 M Tris, pH 8