Structure of IDP97218

Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the complex with the hydrolyzed penicillin G

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CSGID target
IDP97218 
PDB Id
6U0Z (NCBI MMDB) 
Authors
'Y.Kim,N.Maltseva,M.Endres,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Aug 15, 2019 
Release Date
Sep 11, 2019 

Annotation

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Ligands

Ligand code Name Ligand type
PNK (2r,4s)-2-{(r)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid biological
ZN zinc biological
SUC sucrose crystallization
SO4 sulfate crystallization
PEG crystallization

Structure information

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Unit cell parameters

Space Group
P 64 2 2  
Unit Cell

a=104.76Å, b=104.76Å, c=98.43Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
34.29-1.65Å (1.69-1.65Å)  
Rall(%)
15.9 
Rwork(%)
15.8 (19.3) 
Rfree(%)
18.1 (23.6) 
Num. observed reflections
40489 (2728) 
Num. Rfree reflections
1983 (133) 
Completeness(%)
99.3 (100.0) 

Model parameters

Num Atoms
2120  
Num Waters
222  
Num Hetatoms
299  
Model mean isotropic B factor
23.530Å2  
RMSD bond length
0.006Å  
RMSD bond angle
1.004°  
RMSD dihedral angle
15.09°
 
Filename uploaded
dep.pdb (uploaded on Sep 10, 2019 7:47 AM)  
Inserted
Sep 10, 2019