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9FHD

hKHK-C in fomplex with BI-9787

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 date2023-09-18
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.00002
Spacegroup nameP 21 21 21
Unit cell lengths82.964, 86.345, 136.907
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution18.590 - 1.845
R-factor0.192
Rwork0.191
R-free0.20450
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.010
Refinement softwareBUSTER (2.11.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]73.0001.970
High resolution limit [Å]1.8401.840
Number of reflections735083675
<I/σ(I)>16.1
Completeness [%]96.1
Redundancy12.7
CC(1/2)1.0000.700
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION277.1513% PEG 8000, 0.2 M ammonium sulfate, 0.1 M tri-sodium citrate pH 4.2

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