9BFX

Tri-complex of Elironrasib (RMC-6291), KRAS G12C, and CypA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00004
Spacegroup name	P 1 2 1
Unit cell lengths	66.250, 47.620, 101.790
Unit cell angles	90.00, 93.17, 90.00

Refinement procedure

Resolution	50.820 - 1.400
R-factor	0.1814
Rwork	0.180
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.293
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]	50.820	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.038	0.525
Rmeas	0.045	0.650
Rpim	0.024	0.377
Number of reflections	123895	12065
<I/σ(I)>	14.43
Completeness [%]	99.1	97.12
Redundancy	3.2	2.7
CC(1/2)	0.999	0.690

Crystallization Conditions

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