› 5ai2

Neutron Diffraction
1.75Å resolution

Anomalous Neutron phased crystal structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.75A resolution at 295K

Released:
DOI: 10.2210/pdb5ai2/pdb
PDB entry 5ai2 coloured by chain, front view.
PDB entry 5ai2 coloured by chain, side view.
PDB entry 5ai2 coloured by chain, top view.
Source organism: Pyrococcus furiosus
Primary publication:
Macromolecular structure phasing by neutron anomalous diffraction.
Cuypers MG, Mason SA, Mossou E, Haertlein M, Forsyth VT, Mitchell EP
Sci Rep 6 31487 (2016)
PMID: 27511806

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
UniProt:
  • Canonical: P24297 (Residues: 1-54; Coverage: 100%)
Gene names: PF1282, rub
Sequence domains: Rubredoxin
Structure domains: Rubrerythrin, domain 2

Ligands and Environments

3 bound ligands:
Ligand CD 1 x CD
Ligand D8U 3 x D8U
Ligand DOD 48 x DOD
No modified residues

Experiments and Validation Details

Spacegroup: P212121
Unit cell:
a: 34.44Å b: 34.14Å c: 43.78Å α: 90° β: 90° γ: 90°
R-values:
R R work R free 0.236 0.233 0.286

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Citations

1 review citation

Fibre diffraction studies of biological macromolecules.
Marvin DA. (2017)
3 other articles

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