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Structure of IDP90564

Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion

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CSGID target
IDP90564 
PDB Id
3M34 (NCBI MMDB) 
Authors
Nocek, B.,Makowska-Grzyska, M., Maltseva, N., Grimshaw, S., Joachimiak, A, Anderson, W., CSGID, NIAID,  
Responsible person
Boguslaw Nocek 
Responsible lab
Argonne National Laboratory 
Deposition Date
Mar 08, 2010 
Release Date
Apr 28, 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
    GOL glycerol
    CA calcium ion
    EDO 1,2-ethanediol
    TPP thiamine diphosphate
    MSE selenomethionine modified residue

    Structure information

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    Unit cell parameters

    Space Group
    C 1 2 1  
    Unit Cell

    a=130.35Å, b=70.82Å, c=69.24Å
    α=90.00, β=109.92, γ=90.00  
    Solvent content
    42.34  
    Matthews coefficient
    2.13  

    Refinement

    Data for the highest resolution shell is in parentheses.
    Resolution range
    40.00-1.65Å (1.69-1.65Å)  
    Rall(%)
    15.3  
    Rwork(%)
    15.1 (21.7)  
    Rfree(%)
    18.2 (24.9)  
    Num. observed reflections
    70585 (5075)  
    Num. Rfree reflections
    3599 (246)  
    Completeness(%)
    99.2 (97.7)  

    Model parameters

    Num Atoms
    5372  
    Num Waters
    420  
    Num Hetatoms
    0  
    Model mean isotropic B factor (Å2)
    19.450  
    RMSD bond length (Å)
    0.020  
    RMSD bond angle
    1.809°  
    Filename uploaded
    90564-DEPOSIT.pdb (uploaded on Mar 15, 2010 1:32 PM)  
    Inserted
    Mar 15, 2010