Structure of IDP97892

Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol

Edit deposit information
CSGID target
IDP97892 
PDB Id
7RZL (NCBI MMDB
Authors
Maltseva, N., Kim, Y., Endres, M., Crofts, T., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Natalia Maltseva 
Responsible lab
Argonne National Laboratory 
Deposition Date
Aug 27, 2021 
Release Date
Sep 29, 2021 

Annotation

Ligands

Ligand code Name Ligand type
MSE modified residue
FMN biological
NPO crystallization
EDO crystallization
FMT crystallization
CSX modified residue
EPE crystallization

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=54.71Å, b=77.70Å, c=90.62Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
40.11-1.45Å (1.47-1.45Å)  
Rall(%)
15.0 
Rwork(%)
14.7 (1574.0) 
Rfree(%)
19.0 (2213.0) 
Num. observed reflections
67541 (932) 
Num. Rfree reflections
3343 (41) 
Completeness(%)
93.0 (31.0) 

Model parameters

Num Atoms
3706  
Num Waters
263  
Num Hetatoms
557  
Model mean isotropic B factor
17.270Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.026°  
RMSD dihedral angle
11.516°
 
Filename uploaded
IDP97892nitroph_refine_25.pdb (uploaded on Dec 13, 2021 6:29 PM)  
Inserted
Dec 13, 2021