Structure of IDP91955

Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to Bis-tris propane

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CSGID target
IDP91955 
PDB Id
4H59 (NCBI MMDB) 
Authors
P.J.Stogios,Z.Wawrzak,M.Kudritska,G.Minasov,V.Yim,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Sep 18, 2012 
Release Date
Oct 03, 2012 

Annotation

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Ligands

Ligand code Name Ligand type
B3P 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propyla mino]-2-hydroxymethyl-propane-1,3-diol crystallization
GOL glycerol crystallization
CL chloride crystallization
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=57.04Å, b=68.05Å, c=99.27Å
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
29.22-1.66Å (29.22-1.66Å)  
Rall(%)
16.7 
Rwork(%)
16.6 (16.7) 
Rfree(%)
19.1 (19.1) 
Num. observed reflections
47829 (45955) 
Num. Rfree reflections
2085 (1876) 
Completeness(%)
97.1 (97.1) 

Model parameters

Num Atoms
2411  
Num Waters
405  
Num Hetatoms
486  
Model mean isotropic B factor
35.920Å2  
RMSD bond length
0.007Å  
RMSD bond angle
1.076°  
RMSD dihedral angle
13.79°
 
Filename uploaded
4H59.pdb (uploaded on Oct 03, 2012 9:21 AM)  
Inserted
Sep 19, 2012