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9BFW

Tri-complex of Compound-4, KRAS G12C, 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 date2024-04-05
DetectorDECTRIS EIGER X 9M
Wavelength(s).953
Spacegroup nameP 1 21 1
Unit cell lengths37.210, 58.080, 75.950
Unit cell angles90.00, 97.95, 90.00
Refinement procedure
Resolution35.070 - 1.200
R-factor0.1223
Rwork0.121
R-free0.14750
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle1.171
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]35.0701.243
High resolution limit [Å]1.2001.200
Rmerge0.0440.199
Rmeas0.0510.237
Rpim0.0260.126
Number of reflections996599775
<I/σ(I)>15.354.98
Completeness [%]99.698.16
Redundancy3.73.2
CC(1/2)0.9980.947
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29125% PEG 3350, 0.1M Bis Tris, pH 5.5

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