Structure of IDP95938

Crystal structure of the shikimate kinase + 3-dehydroquinate dehydratase + 3-dehydroshikimate dehydrogenase domains of Aro1 from Candida albicans

Edit deposit information
CSGID target
IDP95938 
PDB Id
7TBV (NCBI MMDB
Authors
Stogios, P.J., Evdokimova, E., Michalska, K., Di Leo, R., Savchenko, A., Joachimiak, A., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Dec 22, 2021 
Release Date
Mar 16, 2022 

Annotation

Ligands

Ligand code Name Ligand type
MG magnesium crystallization
CL chloride crystallization
GOL glycerol crystallization

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=77.68Å, b=89.24Å, c=270.71Å
α=90.00, β=90.28, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.82-2.30Å (2.35-2.30Å)  
Rall(%)
17.9 
Rwork(%)
17.8 (29.5) 
Rfree(%)
22.6 (35.7) 
Num. observed reflections
159443 (10042) 
Num. Rfree reflections
1945 (123) 
Completeness(%)
95.2 (86.0) 

Model parameters

Num Atoms
21347  
Num Waters
1926  
Num Hetatoms
2033  
Model mean isotropic B factor
52.930Å2  
RMSD bond length
0.003Å  
RMSD bond angle
0.549°  
RMSD dihedral angle
21.762°
 
Filename uploaded
7tbv.pdb (uploaded on Mar 16, 2022 4:44 AM)  
Inserted
Mar 16, 2022