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Structure of IDP00044

CRYSTAL STRUCTURE OF BA2930 IN COMPLEX WITH ACCOA AND URACIL

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CSGID target
IDP00044 
PDB Id
3SLF (NCBI MMDB) 
Authors
M.M.Klimecka,M.Chruszcz,P.J.Porebski,M.Cymborowski,W.Anderson,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Maks Chruszcz 
Responsible lab
University of Virginia 
Deposition Date
Jun 24, 2011 
Release Date
Jul 20, 2011 

Annotation

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Ligands

Ligand code Name Ligand type
URA uracil
ACO biological
MSE modified residue
CL chloride crystallization

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=36.72Å, b=110.00Å, c=133.07Å
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
50.00-2.05Å (2.10-2.05Å)  
Rall(%)
19.2 
Rwork(%)
19.0 (26.5) 
Rfree(%)
24.5 (35.1) 
Num. observed reflections
34600 (2375) 
Num. Rfree reflections
1730 (140) 
Completeness(%)
99.4 (94.7) 

Model parameters

Num Atoms
4468  
Num Waters
255  
Num Hetatoms
0  
Model mean isotropic B factor
31.500Å2  
RMSD bond length
0.011Å  
RMSD bond angle
1.341°  
Filename uploaded
hkl_refine_58_corrected_ACOchirality.pdb (uploaded on Jul 15, 2011 9:31 AM)  
Inserted
Jul 15, 2011