Structure of IDP97213

The crystal structure of class D carbapenem-hydrolyzing beta-lactamase BlaA from Shewanella oneidensis MR-1

Edit deposit information
CSGID target
IDP97213 
PDB Id
6NLW (NCBI MMDB
Authors
K.Tan, C.Tesar M.Endres, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Kemin Tan 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jan 10, 2019 
Release Date
 

Annotation

Ligands

Ligand code Name Ligand type
GOL glycerol crystallization
SO4 sulfate molecule crystallization
CL crystallization
FMT crystallization
PEG polyethylene glycol crystallization
MLA crystallization

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=174.33Å, b=61.39Å, c=122.80Å
α=90.00, β=119.53, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
39.03-1.85Å (0.00-0.00Å)  
Rall(%)
18.5 
Rwork(%)
18.3 (0.0) 
Rfree(%)
22.5 (0.0) 
Num. observed reflections
101463 (0) 
Num. Rfree reflections
5063 (0) 
Completeness(%)
99.9 (0.0) 

Model parameters

Num Atoms
7932  
Num Waters
534  
Num Hetatoms
742  
Model mean isotropic B factor
29.390Å2  
RMSD bond length
0.010Å  
RMSD bond angle
0.930°  
RMSD dihedral angle
5.571°
 
Filename uploaded
IDP97213.pdb (uploaded on Jan 14, 2019 10:45 AM)  
Inserted
Jan 14, 2019