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6W2Z

Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2019-04-10
DetectorADSC QUANTUM 210r
Wavelength(s)0.97935
Spacegroup nameP 1 21 1
Unit cell lengths39.681, 85.456, 70.360
Unit cell angles90.00, 94.97, 90.00
Refinement procedure
Resolution27.100 - 1.500
R-factor0.1627
Rwork0.161
R-free0.19850
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDBID 6NI1
RMSD bond length0.006
RMSD bond angle0.864
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareHKL-3000
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.530
High resolution limit [Å]1.5001.500
Rmerge0.0600.890
Number of reflections715433249
<I/σ(I)>23.31.41
Completeness [%]95.486.3
Redundancy4.43.5
CC(1/2)0.528
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.828950 mM Bicine pH 8.8, 2.9 %(v/v), 25.7 %(w/v) PEG2000

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