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7PSE

Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2021-07-07
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.976270
Spacegroup nameP 2 21 21
Unit cell lengths44.830, 105.480, 124.960
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution53.760 - 2.320
Rwork0.235
R-free0.28860
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4s2p
RMSD bond length0.008
RMSD bond angle1.529
Data reduction softwareSADABS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]53.7602.400
High resolution limit [Å]2.3202.320
Number of reflections263292438
<I/σ(I)>71
Completeness [%]99.3
Redundancy10.9
CC(1/2)0.9960.566
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52910.1M HEPES pH 7.5, 11.6% PEG8000, 8% 1-BuOH, mixed with the 10 mg/mL protein stock at 1:1 ratio.

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