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9DE3

Crystal structure of NDM-1 complexed with compound 28

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 1 21 1
Unit cell lengths42.390, 59.702, 41.643
Unit cell angles90.00, 97.85, 90.00
Refinement procedure
Resolution41.990 - 2.150
R-factor0.22181
Rwork0.220
R-free0.25564
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.207
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.190
High resolution limit [Å]2.1502.150
Rmerge0.1370.474
Number of reflections11298561
<I/σ(I)>11.522
Completeness [%]98.0
Redundancy3.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2930.1 M Bis Tris pH 7.5, 25% PEG 3350

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