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Structure of IDP90564

Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion

Edit deposit information
CSGID target
IDP90564 
PDB Id
3M34 (NCBI MMDB
Authors
B.Nocek,M.Makowska-Grzyska,N.Maltseva,S.Grimshaw,A.Joachimiak,W.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Boguslaw Nocek 
Responsible lab
Argonne National Laboratory 
Deposition Date
Mar 08, 2010 
Release Date
Apr 28, 2010 

Annotation

Ligands

Ligand code Name Ligand type
GOL
CA
EDO
TPP thiamine diphosphate
MSE modified residue

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=130.35Å, b=70.82Å, c=69.24Å
α=90.00, β=109.92, γ=90.00 
Solvent content
42.34  
Matthews coefficient
2.13  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
40.00-1.65Å (1.69-1.65Å)  
Rall(%)
15.3 
Rwork(%)
15.1 (21.7) 
Rfree(%)
18.2 (24.9) 
Num. observed reflections
70585 (5075) 
Num. Rfree reflections
3599 (246) 
Completeness(%)
99.2 (97.7) 

Model parameters

Num Atoms
5372  
Num Waters
420  
Num Hetatoms
0  
Model mean isotropic B factor
19.450Å2  
RMSD bond length
0.020Å  
RMSD bond angle
1.809°  
Filename uploaded
90564-DEPOSIT.pdb (uploaded on Mar 15, 2010 1:32 PM)  
Inserted
Mar 15, 2010