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Structure paper

TitleProtein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 73, Page 702-709, Year 2017
Publish dateNov 29, 2016 (structure data deposition date)
AuthorsNaitow, H. / Matsuura, Y. / Tono, K. / Joti, Y. / Kameshima, T. / Hatsui, T. / Yabashi, M. / Tanaka, R. / Tanaka, T. / Sugahara, M. ...Naitow, H. / Matsuura, Y. / Tono, K. / Joti, Y. / Kameshima, T. / Hatsui, T. / Yabashi, M. / Tanaka, R. / Tanaka, T. / Sugahara, M. / Kobayashi, J. / Nango, E. / Iwata, S. / Kunishima, N.
External linksActa Crystallogr D Struct Biol / PubMed:28777085
MethodsX-ray diffraction
Resolution1.9 - 2.3 Å
Structure data

PDB-5wr2:
Thermolysin, SFX liganded form with oil-based carrier
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5wr3:
Thermolysin, SFX liganded form with water-based carrier
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5wr4:
Thermolysin, SFX unliganded form with oil-based carrier
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5wr5:
Thermolysin, liganded form with cryo condition 1
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5wr6:
Thermolysin, liganded form with cryo condition 2
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-NX6:
N-[(benzyloxy)carbonyl]-L-aspartic acid

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

Source
  • geobacillus stearothermophilus (bacteria)
KeywordsHYDROLASE / X-ray free-electron laser / Serial femtosecond crystallography / Microcrystal / Structure-based drug design

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