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Structure of IDP91106

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

Edit deposit information
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

Ligands

Ligand code Name Ligand type
PEG crystallization
AKG 2-oxyglutaric acid biological
MN unknown biological
ZN biological
MSE modified residue
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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