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Structure of IDP00909

1.54A RESOLUTION CRYSTAL STRUCTURE OF A BETA-CARBONIC ANHYDRASE FROM SALMONELLA ENTERICA SUBSP. ENTERICA SEROVAR TYPHIMURIUM STR. LT2

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CSGID target
IDP00909 
PDB Id
3QY1 (NCBI MMDB) 
Authors
J.S.Brunzelle,Z.Wawrzak,O.Onopriyenko,W.F.Anderson,A.Savchenko,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Joseph Brunzelle 
Responsible lab
Northwestern University 
Deposition Date
Mar 02, 2011 
Release Date
Mar 16, 2011 

Annotation

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Ligands

Ligand code Name Ligand type
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on biological

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=115.25Å, b=48.22Å, c=80.07Å
α=90.00, β=113.45, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
22.55-1.54Å (1.58-1.54Å)  
Rall(%)
15.7 
Rwork(%)
15.6 (20.5) 
Rfree(%)
17.2 (22.2) 
Num. observed reflections
62369 (3872) 
Num. Rfree reflections
3149 (197) 
Completeness(%)
0.0 (0.0) 

Model parameters

Num Atoms
3456  
Num Waters
447  
Num Hetatoms
451  
Model mean isotropic B factor
32.800Å2  
RMSD bond length
0.010Å  
RMSD bond angle
0.950°  
RMSD dihedral angle
3.54°
 
RMSD improper torsion angle
2.69°
 
Filename uploaded
3QY1.pdb (uploaded on Mar 23, 2011 3:56 PM)  
Inserted
Mar 23, 2011