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Structure paper

TitleChanges in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Journal, issue, pagesSci Adv, Vol. 10, Page eadk7201-eadk7201, Year 2024
Publish dateAug 11, 2023 (structure data deposition date)
AuthorsSmith, N. / Dasgupta, M. / Wych, D.C. / Dolamore, C. / Sierra, R.G. / Lisova, S. / Marchany-Rivera, D. / Cohen, A.E. / Boutet, S. / Hunter, M.S. ...Smith, N. / Dasgupta, M. / Wych, D.C. / Dolamore, C. / Sierra, R.G. / Lisova, S. / Marchany-Rivera, D. / Cohen, A.E. / Boutet, S. / Hunter, M.S. / Kupitz, C. / Poitevin, F. / Moss 3rd, F.R. / Mittan-Moreau, D.W. / Brewster, A.S. / Sauter, N.K. / Young, I.D. / Wolff, A.M. / Tiwari, V.K. / Kumar, N. / Berkowitz, D.B. / Hadt, R.G. / Thompson, M.C. / Follmer, A.H. / Wall, M.E. / Wilson, M.A.
External linksSci Adv / PubMed:38536910
MethodsX-ray diffraction
Resolution1 - 1.5 Å
Structure data

PDB-8tsu:
Pseudomonas fluorescens G150T-1 isocyanide hydratase at 274 K
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-8tsx:
Pseudomonas fluorescens G150T isocyanide hydratase at 100 K
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-8tsy:
Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8tsz:
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-8tt0:
Pseudomonas fluorescens isocyanide hydratase pH=4.2
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-8tt1:
Pseudomonas fluorescens isocyanide hydratase pH=5.0
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-8tt2:
Pseudomonas fluorescens isocyanide hydratase pH=5.4
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

PDB-8tt4:
Pseudomonas fluorescens isocyanide hydratase pH=6.0
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8tt5:
Pseudomonas fluorescens isocyanide hydratase pH=8.3
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-8vpw:
Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, free enzyme
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-8vq1:
Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, thioimidate intermediate
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

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

Source
  • pseudomonas fluorescens (bacteria)
KeywordsLYASE / isocyanide / isonitrile / X-ray free electron laser / serial crystallography / room temperature

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