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3DW0

Crystal structure of the class A carbapenemase KPC-2 at 1.6 angstrom resolution

Replaces:  2ODS
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM30A
Synchrotron siteESRF
BeamlineBM30A
Temperature [K]77
Detector technologyIMAGE PLATE
Collection date2006-07-24
DetectorMAR scanner 345 mm plate
Wavelength(s)0.97900
Spacegroup nameP 1 21 1
Unit cell lengths56.300, 91.300, 73.100
Unit cell angles90.00, 112.60, 90.00
Refinement procedure
Resolution19.760 - 1.600
R-factor0.18875
Rwork0.188
R-free0.21080
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1dy6
RMSD bond length0.011
RMSD bond angle1.255
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.7601.700
High resolution limit [Å]1.6001.600
Number of reflections86680
<I/σ(I)>21.5411.68
Completeness [%]96.595.2
Redundancy3.33
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.529120% PEG 6000, 0.1 M KSCN, 0.1 M Sodium Acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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