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Structure of 000191

Crystal structure of betaine aldehyde dehydrogenase from Agrobacterium tumefaciens

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NYSGRC target
000191 
PDB Id
3R31 (NCBI MMDB) 
Authors
R.Agarwal,S.C.Almo,S.Swaminathan,New York Structural Genomics Research Consortium (Nysgrc) 
Responsible person
Rakhi Agarwal 
Responsible lab
Brookhaven National Laboratory 
Deposition Date
Mar 15, 2011 
Release Date
Apr 06, 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
    EDO 1,2-ethanediol crystallization

    Structure information

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

    Unit cell parameters

    Space Group
    P 31 2 1  
    Unit Cell

    a=98.88Å, b=98.88Å, c=174.58Å
    α=90.00, β=90.00, γ=120.00  
    Solvent content
     
    Matthews coefficient
     

    Refinement

    Data for the highest resolution shell is in parentheses.
    Resolution range
    43.02-2.15Å (2.20-2.15Å)  
    Rall(%)
    19.7  
    Rwork(%)
    19.4 (21.5)  
    Rfree(%)
    24.5 (28.6)  
    Num. observed reflections
    54534 (3965)  
    Num. Rfree reflections
    2781 (196)  
    Completeness(%)
    99.9 (99.5)  

    Model parameters

    Num Atoms
    7362  
    Num Waters
    219  
    Num Hetatoms
    0  
    Model mean isotropic B factor
    38.230Å2  
    RMSD bond length
    0.023Å  
    RMSD bond angle
    1.943°  
    Filename uploaded
    molAB_refmac2.pdb (uploaded on Mar 28, 2011 3:42 PM)  
    Inserted
    Mar 28, 2011