8TBN

Tricomplex of RMC-7977, KRAS G12S, and CypA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	65.776, 84.343, 126.632
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.500 - 1.460
R-factor	0.1552
Rwork	0.153
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.425
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.500	1.512
High resolution limit [Å]	1.460	1.460
Rmerge	0.086	2.045
Rmeas	0.092	2.197
Rpim	0.034	0.793
Number of reflections	120857	11653
<I/σ(I)>	9.99	0.99
Completeness [%]	98.4	96.14
Redundancy	7.3	7.3
CC(1/2)	0.998	0.375

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	22% PEG6000, 0.1 M imidazole, pH 7