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7QOR

Structure of beta-lactamase TEM-171

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP14 (MX2)
Temperature [K]100
Detector technologyPIXEL
Collection date2014-07-09
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.976300
Spacegroup nameP 43 21 2
Unit cell lengths88.190, 88.190, 499.323
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 1.999
Rwork0.190
R-free0.21060
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3jyi
RMSD bond length0.010
RMSD bond angle1.558
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0257)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]86.8502.050
High resolution limit [Å]1.9991.999
Number of reflections1324749279
<I/σ(I)>18.5
Completeness [%]98.6
Redundancy13.2
CC(1/2)0.9900.787
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP277PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5

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