› 4k9f

Neutron Diffraction
1.75Å resolution

Neutron structure of Perdeuterated Rubredoxin refined against 1.75 resolution data collected on the new IMAGINE instrument at HFIR, ORNL

Released:
DOI: 10.2210/pdb4k9f/pdb
PDB entry 4k9f coloured by chain, front view.
PDB entry 4k9f coloured by chain, side view.
PDB entry 4k9f coloured by chain, top view.
Source organism: Pyrococcus furiosus DSM 3638
Primary publication:
The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography.
Meilleur F, Munshi P, Robertson L, Stoica AD, Crow L, Kovalevsky A, Koritsanszky T, Chakoumakos BC, Blessing R, Myles DA
Acta Crystallogr D Biol Crystallogr 69 2157-60 (2013)
PMID: 24100333

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 BL21(DE3)
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 58 x DOD
No modified residues

Experiments and Validation Details

Spacegroup: P212121
Unit cell:
a: 33.822Å b: 34.803Å c: 43.351Å α: 90° β: 90° γ: 90°
R-values:
R R work R free 0.203 0.198 0.241
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Neutron protein crystallography: A complementary tool for locating hydrogens in proteins.
O'Dell et al. (2016)
1 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