Home    Target List    Selection    Community Requests    Clones    XML files    Diffraction Images    Progress    Homolog Search    Statistics    Help

Structure of IDP00044

Crystal structure of BA2930 in complex with CoA

Edit deposit information
CSGID target
IDP00044  
PDB Id
3IJW (NCBI MMDB)  
Authors
Klimecka, M.M., Chruszcz, M., Skarina, T., Onopryienko, O., Cymborowski, M., Savchenko, A., Edwards, A., Anderson, W., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)  
Responsible person
Majka Klimecka  
Responsible lab
University of Virginia  
Deposition Date
2009-08-05  
Release Date
2009-10-13  

Annotation

Add an annotation

Ligands

Ligand code Name Ligand type
ACO acetyl coenzyme A biological
CL chloride ion
MG magnesium ion

Structure information

View structure information | Edit structure information (upload a PDB file)

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=36.85Å, b=109.96Å, c=133.56Å
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
50.00-1.90Å (1.95-1.90Å)  
Rall(%)
18.8  
Rwork(%)
18.6 (26.9)  
Rfree(%)
23.1 (31.2)  
Num. observed reflections
43714 (3162)  
Num. Rfree reflections
2185 (152)  
Completeness(%)
99.7 (99.3)  

Model parameters

Num Atoms
4575  
Num Waters
336  
Num Hetatoms
-4067  
Model mean isotropic B factor
25.750Å2  
RMSD bond length
0.022Å  
RMSD bond angle
1.699°  
Filename uploaded
hkl_refine_31.pdb (uploaded on 2009-08-05 10:54:04-04)