9CT8

Tricomplex of Compound 2, KRAS G12D, and CypA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	47.950, 101.890, 66.060
Unit cell angles	90.00, 91.17, 90.00

Refinement procedure

Resolution	31.410 - 1.280
R-factor	0.1522
Rwork	0.150
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.885
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]	36.570	1.326
High resolution limit [Å]	1.280	1.280
Rmerge	0.077	1.398
Number of reflections	161488	16136
<I/σ(I)>	7.93
Completeness [%]	99.3
Redundancy	3.8
CC(1/2)	0.997	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	22-27% PEG3350 + 0.11-0.20M NaCl + 0.10M MES pH 5.5