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9BG7

Tri-complex of Compound-6, KRAS G12V, and CypA

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL14-1
Synchrotron siteSSRL
BeamlineBL14-1
Temperature [K]100
Detector technologyPIXEL
Collection date2020-01-17
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.19499
Spacegroup nameP 1 21 1
Unit cell lengths47.683, 101.920, 66.731
Unit cell angles90.00, 90.81, 90.00
Refinement procedure
Resolution39.060 - 1.600
R-factor0.1671
Rwork0.165
R-free0.20330
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.913
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]39.0601.630
High resolution limit [Å]1.6001.600
Rmerge0.0680.683
Rpim0.0450.615
Number of reflections764082034
<I/σ(I)>10.81.4
Completeness [%]91.149.3
Redundancy3.3
CC(1/2)0.9920.470
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29128% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl

246031

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