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Structure of IDP00044

Crystal structure of BA2930 in complex with CoA

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

Annotation

Ligands

Ligand code Name Ligand type
ACO biological
CL CHLORIDE ION
MG
MSE modified residue

Structure information

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
44.85  
Matthews coefficient
2.23  

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
0  
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 Aug 05, 2009 10:54 AM)  
Inserted
Aug 05, 2009