Structure of IDP95897

Crystal structure of Human Serum Albumin in complex with ketoprofen

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CSGID target
IDP95897 
PDB Id
7JWN (NCBI MMDB) 
Authors
Czub, M.P., Shabalin, I.G., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Mateusz Czub 
Responsible lab
University of Virginia 
Deposition Date
Aug 25, 2020 
Release Date
Sep 09, 2020 

Annotation

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Ligands

Ligand code Name Ligand type
MYR biological
SKT biological
EDO ethylene diol crystallization
JGE biological

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=170.50Å, b=38.88Å, c=98.50Å
α=90.00, β=104.47, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
41.92-2.60Å (2.67-2.60Å)  
Rall(%)
18.5 
Rwork(%)
18.3 (28.7) 
Rfree(%)
23.1 (40.1) 
Num. observed reflections
15820 (383) 
Num. Rfree reflections
775 (18) 
Completeness(%)
96.4 (88.5) 

Model parameters

Num Atoms
4646  
Num Waters
192  
Num Hetatoms
317  
Model mean isotropic B factor
24.670Å2  
RMSD bond length
0.002Å  
RMSD bond angle
1.139°  
Filename uploaded
hkl_refine_19.pdb (uploaded on Sep 10, 2020 11:42 AM)  
Inserted
Sep 10, 2020