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8GPD

Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin V

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyPIXEL
Collection date2021-06-28
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.97915
Spacegroup nameP 21 21 21
Unit cell lengths39.140, 79.050, 134.280
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.080 - 1.400
R-factor0.1258
Rwork0.124
R-free0.15990
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4rl2
RMSD bond length0.009
RMSD bond angle1.131
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHENIX (1.19.1_4122)
Refinement softwarePHENIX (1.19.1_4122)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.0801.420
High resolution limit [Å]1.4001.400
Number of reflections7989217119
<I/σ(I)>16.32
Completeness [%]96.2
Redundancy10.2
CC(1/2)0.9970.897
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.52930.1M Succinate pH5.5, 32%PEG3350

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