Structure of IDP91125

2.0 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with 3-N-Acetylneuraminyl-N-acetyllactosamine.

Edit deposit information
CSGID target
IDP91125 
PDB Id
4RGT (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
Sep 30, 2014 
Release Date
Oct 08, 2014 

Annotation

Ligands

Ligand code Name Ligand type
GAL beta-d-galactose biological
SIA o-sialic acid biological
PEG crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 64  
Unit Cell

a=141.83Å, b=141.83Å, c=41.99Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.31-2.00Å (2.05-2.00Å)  
Rall(%)
20.0 
Rwork(%)
19.8 (26.6) 
Rfree(%)
24.7 (29.7) 
Num. observed reflections
32903 (2370) 
Num. Rfree reflections
1678 (120) 
Completeness(%)
99.8 (99.2) 

Model parameters

Num Atoms
3313  
Num Waters
247  
Num Hetatoms
356  
Model mean isotropic B factor
48.960Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.606°  
Filename uploaded
4RGT.pdb (uploaded on Nov 13, 2014 1:37 PM)  
Inserted
Nov 13, 2014