9BG0

Tri-complex of Daraxonrasib (RMC-6236), NRAS WT, 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	65.480, 81.710, 127.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.790 - 1.640
R-factor	0.208
Rwork	0.206
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.872
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]	37.790	1.699
High resolution limit [Å]	1.640	1.640
Rmerge	0.145	2.991
Rmeas	0.151	3.102
Rpim	0.041	0.820
Number of reflections	84668	8332
<I/σ(I)>	12.28
Completeness [%]	100.0	99.95
Redundancy	13.5	14.1
CC(1/2)	0.999	0.354

Crystallization Conditions

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