Structure of IDP95303

2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5''-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.

Edit deposit information
CSGID target
IDP95303 
PDB Id
5ICR (NCBI MMDB
Authors
G.Minasov,L.Shuvalova,D.Hung,S.L.Fisher,J.Edelstein,O.Kiryukhina,I.Dubrovska,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Feb 23, 2016 
Release Date
Apr 06, 2016 

Annotation

Ligands

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

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=90.29Å, b=153.56Å, c=201.25Å
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
29.86-2.25Å (2.31-2.25Å)  
Rall(%)
17.5 
Rwork(%)
17.3 (27.7) 
Rfree(%)
21.9 (31.7) 
Num. observed reflections
132999 (9680) 
Num. Rfree reflections
6649 (466) 
Completeness(%)
99.9 (100.0) 

Model parameters

Num Atoms
18962  
Num Waters
1125  
Num Hetatoms
1380  
Model mean isotropic B factor
48.820Å2  
RMSD bond length
0.011Å  
RMSD bond angle
1.554°  
Filename uploaded
5icr.pdb (uploaded on Jul 25, 2016 12:15 PM)  
Inserted
Jul 25, 2016