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9D9N

Crystal structure of NDM-1 complexed with compound 5

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 date2022-03-30
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.97918
Spacegroup nameP 1 21 1
Unit cell lengths57.604, 58.486, 61.761
Unit cell angles90.00, 92.47, 90.00
Refinement procedure
Resolution42.480 - 1.680
R-factor0.229
Rwork0.228
R-free0.24684
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.029
RMSD bond angle1.661
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.710
High resolution limit [Å]1.6801.680
Rmerge0.0770.368
Number of reflections455202239
<I/σ(I)>20.352.38
Completeness [%]97.2
Redundancy3.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.1 M Bis Tris pH 7.5, 25% PEG 3350

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