Structure of 000524

Crystal structure of a putative O-methyltransferase from Klebsiella pneumoniae

NYSGRC target
000524 
PDB Id
3TFW (NCBI MMDB
Authors
L.Satyanarayana,S.C.Almo,S.Swaminathan,New York Structural Genomics Research Consortium (Nysgrc) 
Responsible person
Subramanyam Swaminathan 
Responsible lab
Brookhaven National Laboratory 
Deposition Date
Aug 16, 2011 
Release Date
Sep 28, 2011 

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secondary structure, N to C, molecule

Ligands

Ligand code Name Ligand type
MSE selenomethionine modified residue

Structure information

Unit cell parameters

Space Group
P 21 21 2  
Unit Cell

a=85.28Å, b=95.31Å, c=56.27Å
α=90.00, β=90.00, γ=90.00  
Solvent content
39.56  
Matthews coefficient
2.04  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
50.00-1.88Å (1.93-1.88Å)  
Rall(%)
20.6  
Rwork(%)
20.4 (24.6)  
Rfree(%)
24.4 (33.0)  
Num. observed reflections
37904 (2692)  
Num. Rfree reflections
1857 (114)  
Completeness(%)
99.6 (98.2)  

Model parameters

Num Atoms
3361  
Num Waters
262  
Num Hetatoms
326  
Model mean isotropic B factor
24.770Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.062°  
Filename uploaded
3TFW.pdb (uploaded on Dec 14, 2011 4:46 PM)  
Inserted
Dec 14, 2011