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9CT7

Tricomplex of Compound 1, KRAS G12D, and CypA

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyPIXEL
Collection date2023-08-26
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.9537
Spacegroup nameP 1 21 1
Unit cell lengths47.630, 101.590, 66.340
Unit cell angles90.00, 90.80, 90.00
Refinement procedure
Resolution55.540 - 1.420
R-factor0.1607
Rwork0.158
R-free0.20370
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle0.834
Data reduction softwareHKL-2000
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.5401.471
High resolution limit [Å]1.4201.420
Rmerge0.090
Number of reflections11816111697
<I/σ(I)>7.08
Completeness [%]99.6
Redundancy3.8
CC(1/2)0.9970.352
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29118-23% PEG3350 + 0.11-0.2M NaCl + 0.10M Bis Tris pH 5.5

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