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Structure of IDP91106

2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with alpha-ketoglutarate

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CSGID target
IDP91106 
PDB Id
3QFK (NCBI MMDB) 
Authors
'G.Minasov,Z.Wawrzak,S.N.Krishna,A.Halavaty,L.Shuvalova,I.Dubrovska,J.Winsor,O.Kiryukhina,F.Bagnoli,F.Falugi,M.Bottomley,G.Grandi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Jan 21, 2011 
Release Date
Feb 09, 2011 

Annotation

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Ligands

Ligand code Name Ligand type
PEG crystallization
AKG 2-oxyglutaric acid biological
MN biological
ZN zinc biological
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 1 2 1  
Unit Cell

a=90.44Å, b=84.69Å, c=95.97Å
α=90.00, β=116.91, γ=90.00 
Solvent content
54.46  
Matthews coefficient
2.7  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.20-2.05Å (2.10-2.05Å)  
Rall(%)
17.6 
Rwork(%)
17.3 (27.6) 
Rfree(%)
22.1 (31.5) 
Num. observed reflections
38564 (2451) 
Num. Rfree reflections
1928 (115) 
Completeness(%)
95.0 (81.7) 

Model parameters

Num Atoms
4128  
Num Waters
227  
Num Hetatoms
349  
Model mean isotropic B factor
49.410Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.426°  
Filename uploaded
rcsb063581.pdb (uploaded on Feb 15, 2011 4:56 PM)  
Inserted
Feb 15, 2011