9BG3

Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61K, 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	65.880, 84.100, 128.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.060 - 1.330
R-factor	0.1707
Rwork	0.169
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.883
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]	46.060	1.378
High resolution limit [Å]	1.330	1.330
Rmerge	0.092	2.449
Rmeas	0.099	2.625
Rpim	0.036	0.938
Number of reflections	164077	123090
<I/σ(I)>	9.2	0.83
Completeness [%]	99.8	99.5
Redundancy	7.4	7.6
CC(1/2)	0.998	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	25.5% PEG4000, 0.1 M Tris, pH 8