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Structure of IDP00044

Crystal structure of BA2930 in complex with CoA

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CSGID target
IDP00044 
PDB Id
3IJW (NCBI MMDB) 
Authors
M.M.Klimecka,M.Chruszcz,T.Skarina,O.Onopryienko,M.Cymborowski,A.Savchenko,A.Edwards,W.Anderson,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Majka Klimecka 
Responsible lab
University of Virginia 
Deposition Date
Aug 05, 2009 
Release Date
Oct 13, 2009 

Annotation

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

    Ligands

    Ligand code Name Ligand type
    ACO acetyl coenzyme A biological
    CL chloride ion
    MG magnesium ion
    MSE selenomethionine modified residue

    Structure information

    View structure information | Edit structure information (upload a PDB file)

    Unit cell parameters

    Space Group
    P 21 21 21  
    Unit Cell

    a=36.85Å, b=109.96Å, c=133.56Å
    α=90.00, β=90.00, γ=90.00  
    Solvent content
    44.85  
    Matthews coefficient
    2.23  

    Refinement

    Data for the highest resolution shell is in parentheses.
    Resolution range
    50.00-1.90Å (1.95-1.90Å)  
    Rall(%)
    18.8  
    Rwork(%)
    18.6 (26.9)  
    Rfree(%)
    23.1 (31.2)  
    Num. observed reflections
    43714 (3162)  
    Num. Rfree reflections
    2185 (152)  
    Completeness(%)
    99.7 (99.3)  

    Model parameters

    Num Atoms
    4575  
    Num Waters
    336  
    Num Hetatoms
    0  
    Model mean isotropic B factor (Å2)
    25.750  
    RMSD bond length (Å)
    0.022  
    RMSD bond angle
    1.699°  
    Filename uploaded
    hkl_refine_31.pdb (uploaded on Aug 05, 2009 10:54 AM)  
    Inserted
    Aug 05, 2009