Structure of IDP00766

2.9 Angstrom Crystal Structure of Putative Exotoxin 3 from Staphylococcus aureus.

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CSGID target
IDP00766 
PDB Id
4RH6 (NCBI MMDB) 
Authors
G.Minasov,S.Nocadello,L.Shuvalova,E.V.Filippova,A.Halavaty,I.Dubrovska,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
Oct 01, 2014 
Release Date
Oct 29, 2014 

Annotation

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Ligands

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

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=42.43Å, b=90.62Å, c=159.71Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.96-2.90Å (2.98-2.90Å)  
Rall(%)
23.1 
Rwork(%)
22.6 (31.9) 
Rfree(%)
28.3 (41.2) 
Num. observed reflections
13625 (987) 
Num. Rfree reflections
1376 (102) 
Completeness(%)
95.0 (96.4) 

Model parameters

Num Atoms
4632  
Num Waters
104  
Num Hetatoms
107  
Model mean isotropic B factor
54.040Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.538°  
Filename uploaded
4RH6.pdb (uploaded on Nov 05, 2014 12:48 PM)  
Inserted
Nov 05, 2014