› 3kyv

X-ray diffraction
1.1Å resolution

Denovo X-ray crystal structure determination of H-labeled perdeuterated rubredoxin at 100K

Released:
DOI: 10.2210/pdb3kyv/pdb
PDB entry 3kyv coloured by chain, front view.
PDB entry 3kyv coloured by chain, side view.
PDB entry 3kyv coloured by chain, top view.
Source organism: Pyrococcus furiosus
Primary publication:
Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Gardberg AS, Del Castillo AR, Weiss KL, Meilleur F, Blakeley MP, Myles DA
Acta Crystallogr D Biol Crystallogr 66 558-67 (2010)
PMID: 20445231

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
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 96 x DOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P212121
Unit cell:
a: 33.789Å b: 34.415Å c: 43.041Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.129 0.128 0.147
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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

1 mention without citation

Crystallographic model validation: from diagnosis to healing.
Richardson et al. (2013)