Structure of IDP95820

Crystal structure of Equine Serum Albumin complex with ketoprofen

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CSGID target
IDP95820 
PDB Id
6U4R (NCBI MMDB) 
Authors
'M.P.Czub,K.B.Handing,I.G.Shabalin,K.J.Satchell,A.Joachimiak,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Mateusz Czub 
Responsible lab
University of Virginia 
Deposition Date
Aug 26, 2019 
Release Date
Sep 04, 2019 

Annotation

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Ligands

Ligand code Name Ligand type
SKT biological
KNA biological
UNX Unknown atom crystallization
UNL crystallization
SO4 sulfate crystallization

Structure information

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Unit cell parameters

Space Group
P 61  
Unit Cell

a=95.45Å, b=95.45Å, c=141.69Å
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
47.77-2.45Å (2.52-2.45Å)  
Rall(%)
18.4 
Rwork(%)
18.2 (26.8) 
Rfree(%)
23.2 (29.1) 
Num. observed reflections
23725 (791) 
Num. Rfree reflections
1186 (54) 
Completeness(%)
88.6 (39.9) 

Model parameters

Num Atoms
4578  
Num Waters
209  
Num Hetatoms
309  
Model mean isotropic B factor
26.120Å2  
RMSD bond length
0.002Å  
RMSD bond angle
1.165°  
Filename uploaded
hkl_refine_95.pdb (uploaded on Aug 27, 2019 4:20 PM)  
Inserted
Aug 27, 2019