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Structure of IDP00692

Crystal structure of a putative pyrimidine-nucleoside phosphorylase from Staphylococcus aureus

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CSGID target
IDP00692 
PDB Id
3H5Q (NCBI MMDB) 
Authors
I.A.Shumilin,M.Zimmerman,M.Cymborowski,T.Skarina,O.Onopriyenko,W.F.Anderson,A.Savchenko,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Igor Shumilin 
Responsible lab
University of Virginia 
Deposition Date
Apr 22, 2009 
Release Date
May 26, 2009 

Annotation

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Ligands

Ligand code Name Ligand type
SO4 sulfate
THM thymidine biological
MSE modified residue

Structure information

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Unit cell parameters

Space Group
P 1 2 1  
Unit Cell

a=51.59Å, b=40.88Å, c=105.58Å
α=90.00, β=97.19, γ=90.00 
Solvent content
48.54  
Matthews coefficient
2.39  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
50.00-1.94Å (1.99-1.94Å)  
Rall(%)
16.8 
Rwork(%)
16.6 (20.8) 
Rfree(%)
20.4 (27.9) 
Num. observed reflections
32390 (2212) 
Num. Rfree reflections
1619 (93) 
Completeness(%)
98.9 (92.4) 

Model parameters

Num Atoms
3729  
Num Waters
406  
Num Hetatoms
0  
Model mean isotropic B factor
20.090Å2  
RMSD bond length
0.020Å  
RMSD bond angle
1.696°  
Filename uploaded
hkl_refine_46.pdb (uploaded on Apr 22, 2009 3:38 PM)  
Inserted
Apr 22, 2009