Structure of IDP97038

2.55 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus cereus

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CSGID target
IDP97038 
PDB Id
6VJ6 (NCBI MMDB) 
Authors
Minasov, G., Shuvalova, L., Dubrovska, I., Kiryukhina, O., Wiersum, G., Endres, M., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Jan 14, 2020 
Release Date
Feb 05, 2020 

Annotation

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Ligands

Ligand code Name Ligand type
MSE modified residue
2NV 3,6,9,12,15-pentaoxaoctadecan-17-amine crystallization
GOL glycerol crystallization

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=151.43Å, b=70.36Å, c=79.36Å
α=90.00, β=91.75, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.73-2.55Å (2.62-2.55Å)  
Rall(%)
21.9 
Rwork(%)
21.7 (37.6) 
Rfree(%)
24.7 (43.5) 
Num. observed reflections
28611 (1942) 
Num. Rfree reflections
1453 (87) 
Completeness(%)
99.6 (98.4) 

Model parameters

Num Atoms
4109  
Num Waters
157  
Num Hetatoms
287  
Model mean isotropic B factor
77.620Å2  
RMSD bond length
0.005Å  
RMSD bond angle
1.452°  
Filename uploaded
6vj6.pdb (uploaded on Feb 06, 2020 12:28 PM)  
Inserted
Feb 06, 2020