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9USB

GppNHp-bound KRAS G12D in complex with MCB-294

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL15A1
Synchrotron siteNSRRC
BeamlineBL15A1
Temperature [K]100
Detector technologyCCD
Collection date2025-04-17
DetectorRAYONIX MX-300
Wavelength(s)1
Spacegroup nameP 1 21 1
Unit cell lengths47.184, 102.574, 56.362
Unit cell angles90.00, 107.19, 90.00
Refinement procedure
Resolution23.810 - 2.350
R-factor0.17634
Rwork0.173
R-free0.24226
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.910
Data reduction softwareSAINT
Data scaling softwareSAINT
Phasing softwarePHASER (2.8.2)
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.430
High resolution limit [Å]2.3502.350
Rmerge0.0660.339
Number of reflections216621967
<I/σ(I)>16.52
Completeness [%]98.5
Redundancy3.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52980.2 M sodium acetate, 0.1 M Tris, pH 8.5, 26% (w/v) PEG 3350.

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