36OK

Tri-complex of RMC-8839, KRAS G13C, and CypA

This is a non-PDB format compatible entry.

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	2021-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.97934
Spacegroup name	P 1 21 1
Unit cell lengths	47.960, 101.690, 66.150
Unit cell angles	90.00, 90.97, 90.00

Refinement procedure

Resolution	40.310 - 1.210
R-factor	0.1446
Rwork	0.143
R-free	0.17920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.316
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.310	1.220
High resolution limit [Å]	1.210	1.210
Rmerge	0.083	1.153
Rpim	0.048	0.667
Number of reflections	188470	5980
<I/σ(I)>	6.33	0.86
Completeness [%]	98.0
Redundancy	3.8
CC(1/2)	0.997	0.409

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl