36KR

Tri-complex of Compound 24, 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	2026-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97623
Spacegroup name	P 1 21 1
Unit cell lengths	47.650, 101.580, 65.910
Unit cell angles	90.00, 91.25, 90.00

Refinement procedure

Resolution	47.640 - 1.310
R-factor	0.1814
Rwork	0.180
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.135
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]	47.640	1.357
High resolution limit [Å]	1.310	1.310
Rmerge	0.160	1.061
Rmeas	0.184	1.220
Rpim	0.092	0.596
Number of reflections	145074	14214
<I/σ(I)>	4.64	1.11
Completeness [%]	96.7	94.82
Redundancy	4	4.1
CC(1/2)	0.979	0.472

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