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

Edit deposit information
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

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 crystallization
CL CHLORIDE ION crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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