Structure of IDP95660

Crystal structure of the putative tol-pal system-associated acyl-CoA thioesterase from Pseudomonas aeruginosa PAO1

Edit deposit information
CSGID target
IDP95660 
PDB Id
5V10 (NCBI MMDB
Authors
D.Borek,Z.Wawrzak,S.Grimshaw,J.Sandoval,E.Evdokimova,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Dominika Borek 
Responsible lab
University of Texas Southwestern Medical Center 
Deposition Date
Feb 28, 2017 
Release Date
Mar 22, 2017 

Annotation

Description
Crystals exhibit order-disorder, therefore R-free is higher than expected for this resolution. 
Functional assignment
 

Ligands

Ligand code Name Ligand type
CL crystallization

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=97.99Å, b=62.28Å, c=52.79Å
α=90.00, β=112.52, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
51.31-1.90Å (1.95-1.90Å)  
Rall(%)
22.3 
Rwork(%)
22.0 (21.1) 
Rfree(%)
28.3 (33.6) 
Num. observed reflections
18737 (460) 
Num. Rfree reflections
955 (21) 
Completeness(%)
80.8 (26.9) 

Model parameters

Num Atoms
2186  
Num Waters
78  
Num Hetatoms
81  
Model mean isotropic B factor
32.490Å2  
RMSD bond length
0.015Å  
RMSD bond angle
1.649°  
Filename uploaded
IDP95660-4_MR_output_refmac11.pdb (uploaded on Feb 28, 2017 11:49 PM)  
Inserted
Feb 28, 2017