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8PGU

Crystal structure of the metallo-beta-lactamase VIM1 with 3394

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2020-07-17
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.81564
Spacegroup nameP 1 21 1
Unit cell lengths39.420, 67.880, 40.260
Unit cell angles90.00, 93.54, 90.00
Refinement procedure
Resolution34.580 - 1.620
R-factor0.1626
Rwork0.161
R-free0.18620
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.003
RMSD bond angle0.634
Data reduction softwarexia2
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.5801.660
High resolution limit [Å]1.6201.620
Rmerge0.0880.780
Rmeas0.0950.842
Rpim0.0360.316
Number of reflections268081973
<I/σ(I)>13.52.4
Completeness [%]99.4100
Redundancy7.17
CC(1/2)0.9990.764
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52932.2M ammonium phosphate 0.1M TrisHCl, pH 8.5

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