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9CV2

Crystal structure of the metallo-beta-lactamase VIM-20 with D-captopril

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]100
Detector technologyCCD
Collection date2023-03-18
DetectorADSC QUANTUM 210r
Wavelength(s)1.000010
Spacegroup nameI 2 2 2
Unit cell lengths67.642, 77.318, 78.854
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.430 - 1.570
R-factor0.1674
Rwork0.167
R-free0.18110
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.906
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX (1.21.2_5419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.4301.630
High resolution limit [Å]1.5701.570
Rmeas0.0580.100
Rpim0.0250.038
Number of reflections785693805
<I/σ(I)>13.1318.7
Completeness [%]97.694.3
Redundancy6.71.4
CC(1/2)0.9990.995
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52930.2 M Magnesium Chloride, 0.1 M Tris:HCl, 25% (w/v) PEG 3350

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