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4LLR

Tryparedoxin peroxidase (TXNPX) from trypanosoma cruzi in the reduced state

Replaces:  1UUL
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]287
Detector technologyCCD
Collection date2002-11-15
DetectorADSC QUANTUM 210
Wavelength(s)0.933
Spacegroup nameP 1 21 1
Unit cell lengths125.555, 87.018, 127.144
Unit cell angles90.00, 102.77, 90.00
Refinement procedure
Resolution29.970 - 2.800
R-factor0.16361
Rwork0.162
R-free0.19518
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1e2y
RMSD bond length0.015
RMSD bond angle1.830
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.870
High resolution limit [Å]2.8002.800
Rmerge0.1320.210
Number of reflections66025
<I/σ(I)>6.44
Completeness [%]99.999.7
Redundancy3.723.63
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5100MM EDTA, 15% PEG3350, 10% GLYCEROL, 100MM TRISHCL PH7.5, 100MM DTT, 0.25% DMSO, VAPOR DIFFUSION, HANGING DROP

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