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6XD8

Crystal Structure of Peptidylprolyl Isomerase (PrsA) Fragment from Bacillus anthracis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2020-02-14
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97856
Spacegroup nameP 21 21 2
Unit cell lengths48.889, 107.344, 31.698
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.310 - 1.520
R-factor0.1722
Rwork0.170
R-free0.22190
Structure solution methodSAD
RMSD bond length0.004
RMSD bond angle1.285
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareHKL-3000
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.550
High resolution limit [Å]1.5201.520
Rmerge0.0610.723
Rmeas0.0660.780
Rpim0.0250.289
Number of reflections264341272
<I/σ(I)>28.52.9
Completeness [%]100.0100
Redundancy7.17.2
CC(1/2)0.817
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.3292Protein: 7.8 mg/ml, 0.01M Tris pH 8.3; Screen: Classics II (H11), 0.1M Potassium thiocyanate, 30% (w/v) PEG 2000 MME

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