Structure of IDP95820

Crystal structure of Equine Serum Albumin complex with ibuprofen

Edit deposit information
CSGID target
IDP95820 
PDB Id
6U4X (NCBI MMDB
Authors
Czub, M.P.,Handing, K.B.,Venkataramany, B.S.,Steen, E.H.,Shabalin, I.G.,Satchell, K.J.,Joachimiak, A.,Minor, W.,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

Ligands

Ligand code Name Ligand type
UNX crystallization
IBP biological
SO4 crystallization
UNL crystallization

Structure information

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