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Structure paper

TitleMix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 116, Page 25634-25640, Year 2019
Publish dateDec 26, 2018 (structure data deposition date)
AuthorsDasgupta, M. / Budday, D. / de Oliveira, S.H.P. / Madzelan, P. / Marchany-Rivera, D. / Seravalli, J. / Hayes, B. / Sierra, R.G. / Boutet, S. / Hunter, M.S. ...Dasgupta, M. / Budday, D. / de Oliveira, S.H.P. / Madzelan, P. / Marchany-Rivera, D. / Seravalli, J. / Hayes, B. / Sierra, R.G. / Boutet, S. / Hunter, M.S. / Alonso-Mori, R. / Batyuk, A. / Wierman, J. / Lyubimov, A. / Brewster, A.S. / Sauter, N.K. / Applegate, G.A. / Tiwari, V.K. / Berkowitz, D.B. / Thompson, M.C. / Cohen, A.E. / Fraser, J.S. / Wall, M.E. / van den Bedem, H. / Wilson, M.A.
External linksProc. Natl. Acad. Sci. USA / PubMed:31801874
MethodsX-ray diffraction
Resolution1.05 - 1.55 Å
Structure data

PDB-6ni4:
Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-6ni5:
Pseudomonas fluorescens isocyanide hydratase at 274 K G150A mutant
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-6ni6:
Pseudomonas fluorescens isocyanide hydratase at 274 K
Method: X-RAY DIFFRACTION / Resolution: 1.201 Å

PDB-6ni7:
Pseudomonas fluorescens isocyanide hydratase at 277 K
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-6ni9:
Pseudomonas fluorescens isocyanide hydratase at 274 K qFit multiconformer model
Method: X-RAY DIFFRACTION / Resolution: 1.201 Å

PDB-6nia:
Pseudomonas fluorescens isocyanide hydratase at 100 K helical disorder model
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-6npq:
Pseudomonas fluorescens isocyanide hydratase at 298 K XFEL data
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-6und:
Pseudomonas fluorescens isocyanide hydratase thioimidate intermediate at 298 K XFEL data
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-6unf:
Pseudomonas fluorescens isocyanide hydratase post-catalysis at 298 K XFEL data
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-QCV:
N-(4-nitrophenyl)methanimine

Source
  • pseudomonas fluorescens (strain atcc baa-477 / nrrl b-23932 / pf-5) (bacteria)
KeywordsLYASE / ThiJ/PfpI / DJ-1 superfamily / covalent catalytic intermediate

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