Structure of IDP91126

2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG.

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CSGID target
IDP91126 
PDB Id
4HS7 (NCBI MMDB) 
Authors
'G.Minasov,L.Shuvalova,I.Dubrovska,J.Winsor,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 29, 2012 
Release Date
Nov 07, 2012 

Annotation

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Ligands

Ligand code Name Ligand type
P33 3,6,9,12,15,18-hexaoxaicosane-1,20-diol crystallization
PEG crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
P 65  
Unit Cell

a=101.86Å, b=101.86Å, c=191.34Å
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
29.99-2.60Å (2.67-2.60Å)  
Rall(%)
17.0 
Rwork(%)
16.7 (22.9) 
Rfree(%)
21.9 (30.8) 
Num. observed reflections
34114 (2498) 
Num. Rfree reflections
1705 (121) 
Completeness(%)
99.0 (99.6) 

Model parameters

Num Atoms
6178  
Num Waters
291  
Num Hetatoms
356  
Model mean isotropic B factor
39.590Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.370°  
Filename uploaded
rcsb075854.pdb (uploaded on Nov 12, 2012 3:38 PM)  
Inserted
Nov 12, 2012