Structure of IDP95820

Crystal structure of Equine Serum Albumin complex with ibuprofen

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CSGID target
IDP95820 
PDB Id
6U4X (NCBI MMDB) 
Authors
'M.P.Czub,K.B.Handing,B.S.Venkataramany,E.H.Steen,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
UNX Unknown atom crystallization
IBP biological
SO4 sulfate crystallization
UNL crystallization

Structure information

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Unit cell parameters

Space Group
P 61  
Unit Cell

a=95.23Å, b=95.23Å, c=141.94Å
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
47.66-2.25Å (2.31-2.25Å)  
Rall(%)
19.3 
Rwork(%)
19.1 (26.3) 
Rfree(%)
23.8 (43.3) 
Num. observed reflections
29373 (893) 
Num. Rfree reflections
1498 (47) 
Completeness(%)
85.3 (34.9) 

Model parameters

Num Atoms
4582  
Num Waters
266  
Num Hetatoms
366  
Model mean isotropic B factor
24.400Å2  
RMSD bond length
0.002Å  
RMSD bond angle
1.148°  
Filename uploaded
hkl_refine_40.pdb (uploaded on Aug 27, 2019 4:15 PM)  
Inserted
Aug 27, 2019