Structure of IDP97250

Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate

Edit deposit information
CSGID target
IDP97250 
PDB Id
6W33 (NCBI MMDB
Authors
Kim, Y., Maltseva, N., Endres, M., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Mar 08, 2020 
Release Date
 

Annotation

Ligands

Ligand code Name Ligand type
1X6 o-[(2e)-3-aminoprop-2-enoyl]-l-serine biological
MES MES crystallization
EDO ETHYLENE GLYCOL crystallization
GOL GLYCEROL crystallization
CL chloride ion crystallization
SO4 sulfate molecule crystallization

Structure information

Unit cell parameters

Space Group
P 1  
Unit Cell

a=42.73Å, b=43.64Å, c=72.40Å
α=85.08, β=88.25, γ=86.68 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
37.13-1.85Å (1.89-1.85Å)  
Rall(%)
18.5 
Rwork(%)
18.4 (28.0) 
Rfree(%)
21.6 (32.9) 
Num. observed reflections
45944 (2561) 
Num. Rfree reflections
2356 (114) 
Completeness(%)
98.5 (92.0) 

Model parameters

Num Atoms
4038  
Num Waters
195  
Num Hetatoms
275  
Model mean isotropic B factor
45.430Å2  
RMSD bond length
0.006Å  
RMSD bond angle
0.847°  
RMSD dihedral angle
15.05°
 
Filename uploaded
dep-8.pdb (uploaded on Mar 11, 2020 12:08 PM)  
Inserted
Mar 11, 2020