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2VIM

X-ray structure of Fasciola hepatica thioredoxin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron siteMPG/DESY, HAMBURG
BeamlineBW6
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2004-03-10
DetectorMARRESEARCH
Spacegroup nameP 1 21 1
Unit cell lengths32.666, 34.586, 40.381
Unit cell angles90.00, 106.63, 90.00
Refinement procedure
Resolution38.690 - 1.380
R-factor0.192
Rwork0.189
R-free0.24800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2fa4
RMSD bond length0.017
RMSD bond angle1.679
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareBabel
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.6901.420
High resolution limit [Å]1.3801.380
Rmerge0.0700.490
Number of reflections16069
<I/σ(I)>10.750.87
Completeness [%]89.656.3
Redundancy2.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.50.1 M TRIS-HCL PH 8.5, 2 M AMMONIUM SULFATE.

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