› 4ar4

Neutron Diffraction
1.38Å resolution

Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution.

Released:
DOI: 10.2210/pdb4ar4/pdb
PDB entry 4ar4 coloured by chain, front view.
PDB entry 4ar4 coloured by chain, side view.
PDB entry 4ar4 coloured by chain, top view.
Source organism: Pyrococcus furiosus DSM 3638
Primary publication:
Near-atomic resolution neutron crystallography on perdeuterated Pyrococcus furiosus rubredoxin: implication of hydronium ions and protonation state equilibria in redox changes.
Cuypers MG, Mason SA, Blakeley MP, Mitchell EP, Haertlein M, Forsyth VT
Angew Chem Int Ed Engl 52 1022-5 (2013)
PMID: 23225503

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150200 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Rubredoxin Chain: A
Molecule details ›
Chain: A
Length: 54 amino acids
Theoretical weight: 6.03 KDa
Source organism: Pyrococcus furiosus DSM 3638
Expression system: Escherichia coli
UniProt:
  • Canonical: P24297 (Residues: 1-54; Coverage: 100%)
Gene names: PF1282, rub
Sequence domains: Rubredoxin
Structure domains: Rubrerythrin, domain 2

Ligands and Environments

4 bound ligands:
Ligand FE 1 x FE
Ligand D8U 2 x D8U
Ligand D3O 4 x D3O
Ligand DOD 104 x DOD
No modified residues

Experiments and Validation Details

Spacegroup: P212121
Unit cell:
a: 34.375Å b: 35.183Å c: 43.994Å α: 90° β: 90° γ: 90°
R-values:
R R work R free 0.188 0.186 0.226
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Neutron protein crystallography: A complementary tool for locating hydrogens in proteins.
O'Dell et al. (2016)
3 more

3 mentions without citation

Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition.
Liebschner et al. (2018)
2 more