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2CVK

Crystal Structure of Thermus thermophilus Thioredoxin

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B2
Synchrotron siteSPring-8
BeamlineBL26B2
Temperature [K]100
Detector technologyCCD
Collection date2005-05-21
DetectorRIGAKU JUPITER 210
Wavelength(s)0.97903, 0.90000, 0.97939
Spacegroup nameP 43 21 2
Unit cell lengths58.850, 58.850, 59.610
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution18.830 - 2.000
R-factor0.232
Rwork0.232
R-free0.26300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1NSW(chain:D)
RMSD bond length0.006
RMSD bond angle1.200
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0360.116
<I/σ(I)>24.319.54
Completeness [%]99.799.8
Redundancy7.27.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52934.3M Sodium Chloride, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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