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2XPD

Reduced Thiol peroxidase (Tpx) from yersinia Pseudotuberculosis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyCCD
Collection date2010-12-14
DetectorADSC CCD
Spacegroup nameP 1 21 1
Unit cell lengths64.865, 92.068, 85.605
Unit cell angles90.00, 91.41, 90.00
Refinement procedure
Resolution44.668 - 2.000
R-factor0.225
Rwork0.222
R-free0.26830
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)MODIFIED PDB ENTRY 3HVV
RMSD bond length0.022
RMSD bond angle1.855
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.6702.110
High resolution limit [Å]2.0002.000
Rmerge0.1500.640
Number of reflections64433
<I/σ(I)>5.31.7
Completeness [%]94.991.5
Redundancy2.82.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.520% PEG 3 350, 0.2 M SODIUM CITRATE TRIBASIC, pH 7.5

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