Structure of IDP97218

Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the complex with the hydrolyzed moxalactam and two Ni ions

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CSGID target
IDP97218 
PDB Id
6U2Y (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
Aug 20, 2019 
Release Date
Sep 04, 2019 

Annotation

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Ligands

Ligand code Name Ligand type
JNK n-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-me thoxycyclohexanecarboxamide biological
NI biological
EDO ethylene diol crystallization

Structure information

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Unit cell parameters

Space Group
P 64 2 2  
Unit Cell

a=104.13Å, b=104.13Å, c=98.93Å
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
46.07-1.50Å (1.53-1.50Å)  
Rall(%)
14.5 
Rwork(%)
14.4 (25.6) 
Rfree(%)
16.8 (31.0) 
Num. observed reflections
53300 (2672) 
Num. Rfree reflections
2707 (135) 
Completeness(%)
99.7 (96.0) 

Model parameters

Num Atoms
2038  
Num Waters
281  
Num Hetatoms
317  
Model mean isotropic B factor
24.380Å2  
RMSD bond length
0.009Å  
RMSD bond angle
1.037°  
RMSD dihedral angle
14.84°
 
Filename uploaded
dep-f.pdb (uploaded on Jul 29, 2020 3:50 PM)  
Inserted
Jul 29, 2020