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Structure of 000379

CRYSTAL STRUCTURE OF putative dioxygenase from Bacillus subtilis subsp. subtilis str. 168

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NYSGRC target
000379 
PDB Id
3OAJ (NCBI MMDB) 
Authors
V.N.Malashkevich,R.Toro,R.Seidel,S.Garrett,R.Foti,S.C.Almo,New York Structural Genomics Research Consortium (Nysgrc) 
Responsible person
Vladimir Malashkevich 
Responsible lab
Albert Einstein College of Medicine 
Deposition Date
Aug 05, 2010 
Release Date
Aug 18, 2010 

Annotation

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Slides:
  • Asymmetric unit
  • Biological unit
  • B-factors distribution
  • B-factors distribution on the surface
  • Homolog superposition
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    secondary structure, N to C, molecule

    Ligands

    Ligand code Name Ligand type
    SO4 sulfate ion crystallization
    ZN zinc ion

    Structure information

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    Unit cell parameters

    Space Group
    P 1 21 1  
    Unit Cell

    a=50.22Å, b=86.18Å, c=72.97Å
    α=90.00, β=91.65, γ=90.00  
    Solvent content
    40.74  
    Matthews coefficient
    2.08  

    Refinement

    Data for the highest resolution shell is in parentheses.
    Resolution range
    8.00-1.40Å (1.44-1.40Å)  
    Rall(%)
    18.2  
    Rwork(%)
    18.0 (33.6)  
    Rfree(%)
    22.5 (41.7)  
    Num. observed reflections
    116993 (7103)  
    Num. Rfree reflections
    5849 (345)  
    Completeness(%)
    92.4 (81.8)  

    Model parameters

    Num Atoms
    4985  
    Num Waters
    695  
    Num Hetatoms
    707  
    Model mean isotropic B factor
    17.430Å2  
    RMSD bond length
    0.009Å  
    RMSD bond angle
    1.263°  
    Filename uploaded
    3OAJ.pdb (uploaded on Feb 15, 2011 3:33 PM)  
    Inserted
    Feb 08, 2011