9BFV

Tri-complex of Compound-23, KRAS G12C, 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	2024-03-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.953
Spacegroup name	P 1 21 1
Unit cell lengths	48.040, 105.180, 66.220
Unit cell angles	90.00, 90.86, 90.00

Refinement procedure

Resolution	48.030 - 1.200
R-factor	0.1513
Rwork	0.149
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.994
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]	48.030	1.243
High resolution limit [Å]	1.200	1.200
Rmerge	0.056	1.374
Rmeas	0.065	1.601
Rpim	0.033	0.812
Number of reflections	197918	18877
<I/σ(I)>	9.75	0.9
Completeness [%]	96.8	92.57
Redundancy	3.9	3.7
CC(1/2)	0.999	0.268

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