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Structure paper

TitleUnambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 66, Page 558-567, Year 2010
Publish dateDec 7, 2009 (structure data deposition date)
AuthorsGardberg, A.S. / Del Castillo, A.R. / Weiss, K.L. / Meilleur, F. / Blakeley, M.P. / Myles, D.A.
External linksActa Crystallogr. ,Sect. D / PubMed:20445231
MethodsX-ray diffraction / neutron diffraction
Resolution1.1 - 1.675 Å
Structure data

PDB-3kyu:
X-ray crystal structure determination of fully perdeuterated rubredoxin at 100K
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-3kyv:
Denovo X-ray crystal structure determination of H-labeled perdeuterated rubredoxin at 100K
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-3kyw:
Xray crystal structure determination of H-labeled perdeuterated rubredoxin at 295K
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-3kyx:
Joint Xray/neutron crystal structure determination of fully perdeuterated rubredoxin at 295K
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.675 Å

PDB-3kyy:
Joint Xray/neutron crystal structure determination of H-labeled perdeuterated rubredoxin at 295K
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.1 Å

Chemicals

ChemComp-FE:
Unknown entry

ChemComp-DOD:
DEUTERATED WATER

Source
  • pyrococcus furiosus (archaea)
KeywordsELECTRON TRANSPORT / Iron / Metal-binding / Transport / selective perdeuteration / ultra-high resolution room-temperature / joint X-ray neutron refinement

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