Structure of IDP90544

The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form

Edit deposit information
CSGID target
IDP90544 
PDB Id
5HI6 (NCBI MMDB
Authors
C.Chang,N.Maltseva,Y.Kim,M.Makowska-Grzyska,R.Mulligan,L.Papazisi,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Natalia Maltseva 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jan 11, 2016 
Release Date
Feb 03, 2016 

Annotation

Ligands

Ligand code Name Ligand type
MTX crystallization
CA crystallization
K crystallization
CL CHLORIDE ION crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=44.15Å, b=60.62Å, c=109.94Å
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
35.69-2.05Å (2.11-2.05Å)  
Rall(%)
17.7 
Rwork(%)
17.5 (2260.0) 
Rfree(%)
22.3 (3370.0) 
Num. observed reflections
20355 (2236) 
Num. Rfree reflections
1056 (106) 
Completeness(%)
97.1 (80.0) 

Model parameters

Num Atoms
2466  
Num Waters
281  
Num Hetatoms
464  
Model mean isotropic B factor
28.300Å2  
RMSD bond length
0.003Å  
RMSD bond angle
0.551°  
RMSD dihedral angle
13.403°
 
Filename uploaded
D_1000217072_model-annotate_P1.pdb (uploaded on Jan 22, 2016 2:06 PM)  
Inserted
Jan 22, 2016