Structure of IDP98530

Crystals Structure of the Mutated Protease Domain of Botulinum Neurotoxin X (X4130B1).

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CSGID target
IDP98530 
PDB Id
7KZ7 (NCBI MMDB) 
Authors
Blum, T.R., Liu, H., Packer, M.S., Xiong, X., Lee, P.G., Zhang, S., Richter, M., Minasov, G., Satchell, K.J.F., Dong, M., Liu, D.R., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Dec 10, 2020 
Release Date
Dec 23, 2020 

Annotation

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Ligands

Ligand code Name Ligand type
ZN zinc biological
EDO ethylene diol crystallization
GOL glycerol crystallization

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=59.94Å, b=86.78Å, c=93.56Å
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
29.97-1.80Å (1.85-1.80Å)  
Rall(%)
15.3 
Rwork(%)
15.1 (23.6) 
Rfree(%)
18.5 (24.6) 
Num. observed reflections
45951 (3354) 
Num. Rfree reflections
2343 (166) 
Completeness(%)
100.0 (100.0) 

Model parameters

Num Atoms
3468  
Num Waters
407  
Num Hetatoms
458  
Model mean isotropic B factor
28.770Å2  
RMSD bond length
0.006Å  
RMSD bond angle
1.353°  
Filename uploaded
7kz7.pdb (uploaded on Mar 11, 2021 10:49 AM)  
Inserted
Mar 11, 2021