9BG8

Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61R, 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	2024-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	66.010, 84.100, 127.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.250 - 1.200
R-factor	0.154
Rwork	0.152
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.867
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]	45.840	1.243
High resolution limit [Å]	1.200	1.200
Rmerge	0.072	2.119
Rmeas	0.078	2.293
Rpim	0.028	0.867
Number of reflections	220757	21857
<I/σ(I)>	11.4	1.05
Completeness [%]	99.9	99.81
Redundancy	7.4	6.9
CC(1/2)	0.999	0.399

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% PEG3350, 0.1 M Bis-Tris, pH 5.5, 150 mM sodium chloride