Structure of IDP95895

2.60 Angstrom Resolution Crystal Structure of Peptidase S41 from Acinetobacter baumannii

Edit deposit information
CSGID target
IDP95895 
PDB Id
6VBB (NCBI MMDB
Authors
Minasov, G., Wawrzak, Z., Shuvalova, L., Kiryukhina, O., Dubrovska, I., Satchell, K.J.F., Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Dec 18, 2019 
Release Date
Dec 25, 2019 

Annotation

Ligands

Ligand code Name Ligand type
MSE SELENOMETHIONINE modified residue
TMO hydroxy(trimethyl)ammonium crystallization
PEG polyethylene glycol crystallization
NA Sodium ion crystallization
CL chloride ion crystallization

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=136.31Å, b=102.53Å, c=68.03Å
α=90.00, β=116.28, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.43-2.60Å (2.67-2.60Å)  
Rall(%)
18.6 
Rwork(%)
18.3 (31.3) 
Rfree(%)
23.7 (33.4) 
Num. observed reflections
25866 (1909) 
Num. Rfree reflections
1293 (91) 
Completeness(%)
99.9 (100.0) 

Model parameters

Num Atoms
5304  
Num Waters
117  
Num Hetatoms
253  
Model mean isotropic B factor
58.940Å2  
RMSD bond length
0.005Å  
RMSD bond angle
1.336°  
Filename uploaded
D_1000246129_model-annotate_P1.pdb (uploaded on Dec 19, 2019 12:26 PM)  
Inserted
Dec 19, 2019