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9GBJ

KRAS G12D in complex with covalent inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeLIQUID ANODE
Source detailsBRUKER METALJET
Temperature [K]193
Detector technologyPIXEL
Collection date2024-02-01
DetectorBruker PHOTON II
Wavelength(s)1.541840
Spacegroup nameP 21 21 2
Unit cell lengths87.185, 40.452, 55.746
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution17.170 - 1.712
R-factor0.1824
Rwork0.180
R-free0.22300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle0.980
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareDIMPLE
Refinement softwareBUSTER (2.11.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.7401.820
High resolution limit [Å]1.7101.710
Number of reflections18748937
<I/σ(I)>11
Completeness [%]93.0
Redundancy3.9
CC(1/2)0.9900.470
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2770.2 mM MgCl2, 15% PEG 2000, 100 mM sodium acetate pH 4.4

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