Structure of IDP95820

Crystal structure of equine serum albumin in complex with nabumetone

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CSGID target
IDP95820 
PDB Id
6CI6 (NCBI MMDB) 
Authors
B.S.Venkataramany,M.P.Czub,I.G.Shabalin,K.B.Handing,E.H.Steen,D.R.Cooper,A.J.Joachimiak,K.J.F.Satchell,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Barat Venkataramany 
Responsible lab
University of Virginia 
Deposition Date
Feb 23, 2018 
Release Date
Mar 07, 2018 

Annotation

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Ligands

Ligand code Name Ligand type
SO4 sulfate crystallization
NBO biological
TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL crystallization
DKA biological
UNX Unknown atom crystallization

Structure information

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Unit cell parameters

Space Group
P 61  
Unit Cell

a=93.88Å, b=93.88Å, c=140.79Å
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
50.01-2.80Å (2.87-2.80Å)  
Rall(%)
18.6 
Rwork(%)
18.2 (29.4) 
Rfree(%)
25.6 (39.7) 
Num. observed reflections
17284 (1223) 
Num. Rfree reflections
795 (60) 
Completeness(%)
99.8 (97.1) 

Model parameters

Num Atoms
4524  
Num Waters
96  
Num Hetatoms
182  
Model mean isotropic B factor
64.160Å2  
RMSD bond length
0.007Å  
RMSD bond angle
1.088°  
Filename uploaded
hkl_refine_172 (4).pdb (uploaded on Feb 28, 2018 1:18 PM)  
Inserted
Feb 28, 2018