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9BG1

Tri-complex of Compound-3, 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 lengths47.996, 104.704, 66.256
Unit cell angles90.00, 90.86, 90.00
Refinement procedure
Resolution55.970 - 1.510
R-factor0.1893
Rwork0.187
R-free0.22640
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.288
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]55.9701.550
High resolution limit [Å]1.5101.510
Rmerge0.0870.892
Rpim0.0550.575
Number of reflections1000497353
<I/σ(I)>6.7
Completeness [%]97.897.2
Redundancy3.4
CC(1/2)0.9880.591
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29128% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl

221716

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