Structure of IDP95363

The Crystal structure of triple mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases

Edit deposit information
CSGID target
IDP95363 
PDB Id
5JYB (NCBI MMDB
Authors
B.Nocek,R.Jedrzejczak,A.Joachimiak,Csgid,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Boguslaw Nocek 
Responsible lab
Argonne National Laboratory 
Deposition Date
May 13, 2016 
Release Date
Jun 08, 2016 

Annotation

Ligands

Ligand code Name Ligand type
P6G hexaethylene glycol crystallization
EPE biological
1PE crystallization
SBT 2-butanol crystallization
GOL crystallization
EDO crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=65.44Å, b=71.22Å, c=82.70Å
α=90.00, β=109.19, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
36.30-1.65Å (0.00-0.00Å)  
Rall(%)
14.1 
Rwork(%)
14.0 (0.0) 
Rfree(%)
16.5 (0.0) 
Num. observed reflections
77904 (0) 
Num. Rfree reflections
4035 (0) 
Completeness(%)
95.3 (0.0) 

Model parameters

Num Atoms
11039  
Num Waters
667  
Num Hetatoms
937  
Model mean isotropic B factor
19.420Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
D_1000221409_model-annotate_P1.pdb (uploaded on May 31, 2016 1:31 PM)  
Inserted
May 31, 2016