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1JG8

Crystal Structure of Threonine Aldolase (Low-specificity)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F2
Synchrotron siteCHESS
BeamlineF2
Temperature [K]100
Detector technologyCCD
Collection date2001-05-06
DetectorADSC QUANTUM 4
Wavelength(s)0.9794, 0.9796, 0.9686
Spacegroup nameP 21 21 21
Unit cell lengths95.890, 100.600, 149.820
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.800
R-factor0.2083
Rwork0.207
R-free0.22200
Structure solution methodMAD
RMSD bond length0.009
RMSD bond angle1.600
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSnB
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.860
High resolution limit [Å]1.8001.800
Rmerge0.0630.218
Number of reflections132307
<I/σ(I)>27.57.8
Completeness [%]98.399.4
Redundancy7.85.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7298Peg 400, NaCl, HEPES, CaCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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