Structure of 000310

CRYSTAL STRUCTURE OF PUTATIVE 5-ENOLPYRUVOYLSHIKIMATE-3-PHOSPHATE SYNTHASE FROM BACILLUS HALODURANS C-125

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NYSGRC target
000310 
PDB Id
3RMT (NCBI MMDB) 
Authors
V.N.Malashkevich,R.Toro,R.Seidel,U.Ramagopal,W.Zencheck,S.C.Almo,New York Structural Genomics Research Consortium (Nysgrc) 
Responsible person
Vladimir Malashkevich 
Responsible lab
Albert Einstein College of Medicine 
Deposition Date
Apr 21, 2011 
Release Date
 

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

    Structure information

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    Unit cell parameters

    Space Group
    P 21 21 21  
    Unit Cell

    a=87.86Å, b=140.75Å, c=193.62Å
    α=90.00, β=90.00, γ=90.00  
    Solvent content
    60.06  
    Matthews coefficient
    3.08  

    Refinement

    Data for the highest resolution shell is in parentheses.
    Resolution range
    20.00-2.80Å (2.87-2.80Å)  
    Rall(%)
    22.6  
    Rwork(%)
    22.2 (34.9)  
    Rfree(%)
    28.6 (38.3)  
    Num. observed reflections
    62311 (4125)  
    Num. Rfree reflections
    3177 (215)  
    Completeness(%)
    99.4 (96.3)  

    Model parameters

    Num Atoms
    12789  
    Num Waters
    93  
    Num Hetatoms
    238  
    Model mean isotropic B factor
    46.420Å2  
    RMSD bond length
    0.008Å  
    RMSD bond angle
    1.207°  
    Filename uploaded
    rcsb065125.pdb (uploaded on Oct 10, 2011 1:29 PM)  
    Inserted
    Oct 10, 2011