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Structure of IDP00812

Crystal Structure of Leukotoxin (LukE) from Staphylococcus aureus subsp. aureus COL.

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CSGID target
IDP00812 
PDB Id
3ROH (NCBI MMDB) 
Authors
G.Minasov,A.Halavaty,L.Shuvalova,I.Dubrovska,J.Winsor,F.Bagnoli,F.Falugi,M.Bottomley,G.Grandi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Apr 25, 2011 
Release Date
May 04, 2011 

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
    CL chloride ion crystallization
    PGE triethylene glycol crystallization

    Structure information

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

    Unit cell parameters

    Space Group
    I 4  
    Unit Cell

    a=133.90Å, b=133.90Å, c=64.47Å
    α=90.00, β=90.00, γ=90.00  
    Solvent content
     
    Matthews coefficient
     

    Refinement

    Data for the highest resolution shell is in parentheses.
    Resolution range
    29.94-3.20Å (3.28-3.20Å)  
    Rall(%)
    18.1  
    Rwork(%)
    17.8 (29.4)  
    Rfree(%)
    22.4 (27.9)  
    Num. observed reflections
    9557 (676)  
    Num. Rfree reflections
    458 (30)  
    Completeness(%)
    99.9 (100.0)  

    Model parameters

    Num Atoms
    2248  
    Num Waters
    26  
    Num Hetatoms
    38  
    Model mean isotropic B factor (Å2)
    107.370  
    RMSD bond length (Å)
    0.008  
    RMSD bond angle
    1.358°  
    Filename uploaded
    3ROH.pdb (uploaded on May 26, 2011 1:20 PM)  
    Inserted
    May 26, 2011