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Structure of IDP90564

Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate and calcium ion

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CSGID target
IDP90564 
PDB Id
3M6L (NCBI MMDB) 
Authors
'B.Nocek,M.Makowska-Grzyska,N.Maltseva,A.Joachimiak,W.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Boguslaw Nocek 
Responsible lab
Argonne National Laboratory 
Deposition Date
Mar 15, 2010 
Release Date
Apr 28, 2010 

Annotation

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Ligands

Ligand code Name Ligand type
R5P ribose-5-phosphate biological
GOL glycerol
TPP thiamine diphosphate
CA calcium ion
EDO ethylene diol
PO4
MSE modified residue

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=130.92Å, b=71.46Å, c=69.62Å
α=90.00, β=109.48, γ=90.00 
Solvent content
43.58  
Matthews coefficient
2.18  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
40.00-1.59Å (1.63-1.59Å)  
Rall(%)
16.2 
Rwork(%)
16.0 (30.5) 
Rfree(%)
20.1 (31.6) 
Num. observed reflections
76498 (4137) 
Num. Rfree reflections
3824 (221) 
Completeness(%)
94.3 (69.7) 

Model parameters

Num Atoms
5535  
Num Waters
565  
Num Hetatoms
0  
Model mean isotropic B factor
15.950Å2  
RMSD bond length
0.022Å  
RMSD bond angle
2.170°  
Filename uploaded
TK-4_refmac1_FINAL-0315.pdb (uploaded on Mar 16, 2010 7:25 PM)  
Inserted
Mar 16, 2010