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Structure of IDP00832

Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus

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CSGID target
IDP00832 
PDB Id
3IB3 (NCBI MMDB) 
Authors
'M.J.Domagalski,M.Chruszcz,T.Osinski,T.Skarina,O.Onopriyenko,M.Cymborowski,I.A.Shumilin,A.Savchenko,A.Edwards,W.Anderson,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Marcin Domagalski 
Responsible lab
University of Virginia 
Deposition Date
Jul 15, 2009 
Release Date
Aug 11, 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
C 2 2 21  
Unit Cell

a=66.22Å, b=160.58Å, c=216.83Å
α=90.00, β=90.00, γ=90.00 
Solvent content
44.58  
Matthews coefficient
2.22  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
50.00-2.05Å (2.10-2.05Å)  
Rall(%)
19.4 
Rwork(%)
19.1 (25.3) 
Rfree(%)
25.0 (33.3) 
Num. observed reflections
72582 (5085) 
Num. Rfree reflections
3629 (255) 
Completeness(%)
99.6 (95.1) 

Model parameters

Num Atoms
8783  
Num Waters
726  
Num Hetatoms
928  
Model mean isotropic B factor
8.070Å2  
RMSD bond length
0.017Å  
RMSD bond angle
1.595°  
Filename uploaded
3ib3.pdb (uploaded on Aug 27, 2009 4:51 PM)  
Inserted
Aug 05, 2009