› 4ar5

X-ray diffraction
1Å resolution

X-ray crystallographic structure of the oxidised form perdeuterated Pyrococcus furiosus rubredoxin in D2O at 295K (in quartz capillary) to 1.00 Angstrom resolution.

Released:
DOI: 10.2210/pdb4ar5/pdb
PDB 4ar5 coloured by chain and viewed from the front.
PDB 4ar5 coloured by chain and viewed from the side.
PDB 4ar5 coloured by chain and viewed from the top.
Source organism: Pyrococcus furiosus
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. (2012)
PMID: 23225503

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (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
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

2 bound ligands:
Ligand FE 1 x FE
Ligand DOD 135 x DOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 34.361Å b: 35.316Å c: 43.993Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.11 0.11 0.119
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Neutron Crystallography for the Study of Hydrogen Bonds in Macromolecules.
Oksanen et al. (2017)
2 more

1 mention without citation

Macromolecular structure phasing by neutron anomalous diffraction.
Cuypers et al. (2016)