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9QQ0

KRAS-G12D(1-169) - GDP IN covalent COMPLEX WITH compound (3R,4R)-3

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2023-05-15
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.00002
Spacegroup nameP 21 21 21
Unit cell lengths40.367, 51.924, 90.419
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.210 - 1.546
R-factor0.1864
Rwork0.185
R-free0.21330
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1NFQI
RMSD bond length0.010
RMSD bond angle1.080
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.2101.690
High resolution limit [Å]1.5501.550
Rmerge0.1721.448
Number of reflections219791099
<I/σ(I)>5.91.5
Completeness [%]94.360.4
Redundancy9.89.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29330 % PEG 1000, 0.2 M MgSO4

239803

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