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TitleEnzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
Journal, issue, pagesBMC Biol., Vol. 16, Page 59-59, Year 2018
Publish dateSep 29, 2017 (structure data deposition date)
AuthorsOlmos, J.L. / Pandey, S. / Martin-Garcia, J.M. / Calvey, G. / Katz, A. / Knoska, J. / Kupitz, C. / Hunter, M.S. / Liang, M. / Oberthuer, D. ...Olmos, J.L. / Pandey, S. / Martin-Garcia, J.M. / Calvey, G. / Katz, A. / Knoska, J. / Kupitz, C. / Hunter, M.S. / Liang, M. / Oberthuer, D. / Yefanov, O. / Wiedorn, M. / Heyman, M. / Holl, M. / Pande, K. / Barty, A. / Miller, M.D. / Stern, S. / Roy-Chowdhury, S. / Coe, J. / Nagaratnam, N. / Zook, J. / Verburgt, J. / Norwood, T. / Poudyal, I. / Xu, D. / Koglin, J. / Seaberg, M.H. / Zhao, Y. / Bajt, S. / Grant, T. / Mariani, V. / Nelson, G. / Subramanian, G. / Bae, E. / Fromme, R. / Fung, R. / Schwander, P. / Frank, M. / White, T.A. / Weierstall, U. / Zatsepin, N. / Spence, J. / Fromme, P. / Chapman, H.N. / Pollack, L. / Tremblay, L. / Ourmazd, A. / Phillips, G.N. / Schmidt, M.
External linksBMC Biol. / PubMed:29848358
MethodsX-ray diffraction
Resolution1.8 - 2.75 Å
Structure data

PDB-6b5x:
Beta-Lactamase, unmixed shards crystal form
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-6b5y:
Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-6b68:
Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-6b69:
Beta-Lactamase, 500ms timepoint, mixed, shards crystal form
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6b6a:
Beta-Lactamase, 2secs timepoint, mixed, shards crystal form
Method: X-RAY DIFFRACTION / Resolution: 2.298 Å

PDB-6b6b:
Beta-Lactamase, unmixed needles crystal form
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6b6c:
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6b6d:
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6b6e:
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
Method: X-RAY DIFFRACTION / Resolution: 1.901 Å

PDB-6b6f:
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-9F2:
Ceftriaxone / antibiotic*YM

ChemComp-FZS:
(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid / antibiotic*YM

ChemComp-CUG:
(2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsHYDROLASE / Beta-Lactamase / ANTIBIOTIC / Hydrolase/Antibiotic / Hydrolase-Antibiotic complex

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