Structure of APC116030

The crystal structure of thioesterase from Actinomadura verrucosospora

Edit deposit information
Target ID
APC116030 
PDB Id
5VPJ (NCBI MMDB
Authors
K.Tan, G.Joachimiak, M.Endres, G.N.Phillipis Jr., A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), Enzyme Discovery For Natural Product Biosynthesis (Natpro) 
Responsible person
Kemin Tan 
Responsible lab
Argonne National Laboratory 
Deposition Date
May 05, 2017 
Release Date
 

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secondary structure, N to C, molecule

Ligands

Ligand code Name Ligand type
CL chloride ion crystallization
PG4 tetraethylene glycol crystallization
MSE selenomethionine modified residue

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=105.68Å, b=96.36Å, c=114.16Å
α=90.00, β=99.16, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
33.68-2.35Å (2.38-2.35Å)  
Rall(%)
18.8 
Rwork(%)
18.6 (0.0) 
Rfree(%)
22.7 (0.0) 
Num. observed reflections
81838 (1273) 
Num. Rfree reflections
4165 (74) 
Completeness(%)
86.8 (0.0) 

Model parameters

Num Atoms
12782  
Num Waters
1  
Num Hetatoms
264  
Model mean isotropic B factor
52.340Å2  
RMSD bond length
0.002Å  
RMSD bond angle
0.491°  
RMSD dihedral angle
10.985°
 
Filename uploaded
APC116030.pdb (uploaded on May 08, 2017 4:12 PM)