Structure of IDP95663

Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with CoA

Edit deposit information
CSGID target
IDP95663 
PDB Id
5KL9 (NCBI MMDB
Authors
P.J.Stogios,T.Skarina,R.Di Leo,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Jun 23, 2016 
Release Date
Jul 06, 2016 

Annotation

Ligands

Ligand code Name Ligand type
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on biological
SO4 crystallization
GOL crystallization

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=63.70Å, b=97.19Å, c=96.11Å
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
28.88-2.22Å (2.29-2.20Å)  
Rall(%)
19.5 
Rwork(%)
19.3 (26.4) 
Rfree(%)
23.9 (33.3) 
Num. observed reflections
31167 (2433) 
Num. Rfree reflections
1558 (125) 
Completeness(%)
98.3 (95.0) 

Model parameters

Num Atoms
4260  
Num Waters
350  
Num Hetatoms
498  
Model mean isotropic B factor
52.300Å2  
RMSD bond length
0.005Å  
RMSD bond angle
0.906°  
RMSD dihedral angle
15.359°
 
Filename uploaded
5kl9.pdb (uploaded on Jul 06, 2016 9:36 AM)  
Inserted
Jun 30, 2016