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9BG4

Tri-complex of Compound-2, KRAS G12V, 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 date2023-11-22
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.95358
Spacegroup nameP 1 21 1
Unit cell lengths48.140, 101.630, 66.230
Unit cell angles90.00, 90.94, 90.00
Refinement procedure
Resolution55.480 - 1.140
R-factor0.1425
Rwork0.141
R-free0.17720
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.170
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.4801.181
High resolution limit [Å]1.1401.140
Rmerge0.0871.399
Rpim0.0350.676
Number of reflections22042017280
<I/σ(I)>9.620.96
Completeness [%]95.474.91
Redundancy6.85
CC(1/2)0.9990.363
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29128% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 nM NaCl

238895

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