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9CT9

Tricomplex of Compound 3, 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 date2023-08-11
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.95373
Spacegroup nameP 1 21 1
Unit cell lengths47.830, 101.280, 65.710
Unit cell angles90.00, 91.27, 90.00
Refinement procedure
Resolution65.690 - 1.350
R-factor0.1508
Rwork0.149
R-free0.18550
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle0.826
Data reduction softwareHKL-2000
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]65.6901.398
High resolution limit [Å]1.3501.350
Rmerge0.794
Number of reflections13231312578
<I/σ(I)>5.61
Completeness [%]96.7
Redundancy3.9
CC(1/2)0.9900.567
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29120% PEG 3350 + 0.20M Sodium chloride + 0.10M MES pH 5.5 + 1.25% Glycerol

246031

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