9CT7

Tricomplex of Compound 1, KRAS G12D, 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	2023-08-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	47.630, 101.590, 66.340
Unit cell angles	90.00, 90.80, 90.00

Refinement procedure

Resolution	55.540 - 1.420
R-factor	0.1607
Rwork	0.158
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.834
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]	55.540	1.471
High resolution limit [Å]	1.420	1.420
Rmerge	0.090
Number of reflections	118161	11697
<I/σ(I)>	7.08
Completeness [%]	99.6
Redundancy	3.8
CC(1/2)	0.997	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	18-23% PEG3350 + 0.11-0.2M NaCl + 0.10M Bis Tris pH 5.5