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TitleComplementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Journal, issue, pagesIucrj, Vol. 9, Page 610-624, Year 2022
Publish dateSep 15, 2020 (structure data deposition date)
AuthorsMoreno-Chicano, T. / Carey, L.M. / Axford, D. / Beale, J.H. / Doak, R.B. / Duyvesteyn, H.M.E. / Ebrahim, A. / Henning, R.W. / Monteiro, D.C.F. / Myles, D.A. ...Moreno-Chicano, T. / Carey, L.M. / Axford, D. / Beale, J.H. / Doak, R.B. / Duyvesteyn, H.M.E. / Ebrahim, A. / Henning, R.W. / Monteiro, D.C.F. / Myles, D.A. / Owada, S. / Sherrell, D.A. / Straw, M.L. / Srajer, V. / Sugimoto, H. / Tono, K. / Tosha, T. / Tews, I. / Trebbin, M. / Strange, R.W. / Weiss, K.L. / Worrall, J.A.R. / Meilleur, F. / Owen, R.L. / Ghiladi, R.A. / Hough, M.A.
External linksIucrj / PubMed:36071813
MethodsX-ray diffraction / neutron diffraction
Resolution1.75 - 2.2 Å
Structure data

PDB-7adq:
Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-7jor:
Neutron structure of ferric Dehaloperoxidase B
Method: NEUTRON DIFFRACTION / Resolution: 2.05 Å

PDB-7kcu:
Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 2.2 Å

PDB-7kfm:
Room temperature oxyferrous Dehaloperoxidase B
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-HOH:
WATER

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-OXY:
OXYGEN MOLECULE

Source
  • amphitrite ornata (invertebrata)
KeywordsOXIDOREDUCTASE / serial Laue / microcrystal / multifunctional globin / peroxidase / peroxygenase / substrate / METAL BINDING PROTEIN / oxyferrous

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