9BG2

Tri-complex of Compound-10, KRAS G12V, 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	2024-01-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	.95299
Spacegroup name	P 21 21 21
Unit cell lengths	66.360, 85.570, 127.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.850 - 1.640
R-factor	0.2011
Rwork	0.200
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.142
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]	58.850	1.699
High resolution limit [Å]	1.640	1.640
Rmerge	0.108	2.892
Rpim	0.034	0.861
Number of reflections	88855	8775
<I/σ(I)>	11.23	0.95
Completeness [%]	99.3	99.35
Redundancy	10.9	11.8
CC(1/2)	0.999	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	28% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl