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Structure of IDP00832

1.95 Angstrom Crystal Structure of CocE/NonD family hydrolase (SACOL2612) from Staphylococcus aureus

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CSGID target
IDP00832 
PDB Id
3III (NCBI MMDB) 
Authors
'T.Osinski,M.Chruszcz,M.J.Domagalski,M.Cymborowski,I.A.Shumilin,T.Skarina,O.Onopriyenko,M.D.Zimmerman,A.Savchenko,A.Edwards,W.F.Anderson,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Tomasz Osinski 
Responsible lab
University of Virginia 
Deposition Date
Aug 01, 2009 
Release Date
Aug 18, 2009 

Annotation

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Ligands

Ligand code Name Ligand type
CL chloride crystallization
PLM palmitic acid crystallization
MSE modified residue
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
P 41 21 2  
Unit Cell

a=74.50Å, b=74.50Å, c=210.68Å
α=90.00, β=90.00, γ=90.00 
Solvent content
45.35  
Matthews coefficient
2.25  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
42.14-1.95Å (2.00-1.95Å)  
Rall(%)
14.7 
Rwork(%)
14.5 (16.9) 
Rfree(%)
18.3 (25.4) 
Num. observed reflections
44242 (3182) 
Num. Rfree reflections
2212 (158) 
Completeness(%)
99.9 (99.9) 

Model parameters

Num Atoms
4481  
Num Waters
556  
Num Hetatoms
683  
Model mean isotropic B factor
8.690Å2  
RMSD bond length
0.020Å  
RMSD bond angle
1.605°  
Filename uploaded
rcsb054453.pdb (uploaded on Aug 04, 2009 4:51 PM)  
Inserted
Aug 04, 2009