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9D5Q

Crystal structure of KPC-2 complexed with compound 21

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2022-09-22
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.978
Spacegroup nameP 2 21 21
Unit cell lengths56.166, 59.968, 76.932
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.360 - 1.990
R-factor0.16489
Rwork0.163
R-free0.20467
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.506
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.010
High resolution limit [Å]1.9801.980
Rmerge0.1000.438
Number of reflections18153896
<I/σ(I)>21.823.8
Completeness [%]99.6
Redundancy7.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2932.0 M Ammonium sulfate, 5% ethanol

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