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TitleThe CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination.
Journal, issue, pagesACS Cent Sci, Vol. 4, Issue 11, Page 1587-1592, Year 2018
Publish dateNov 28, 2018
AuthorsChristopher G Jones / Michael W Martynowycz / Johan Hattne / Tyler J Fulton / Brian M Stoltz / Jose A Rodriguez / Hosea M Nelson / Tamir Gonen /
PubMed AbstractIn the many scientific endeavors that are driven by organic chemistry, unambiguous identification of small molecules is of paramount importance. Over the past 50 years, NMR and other powerful ...In the many scientific endeavors that are driven by organic chemistry, unambiguous identification of small molecules is of paramount importance. Over the past 50 years, NMR and other powerful spectroscopic techniques have been developed to address this challenge. While almost all of these techniques rely on inference of connectivity, the unambiguous determination of a small molecule's structure requires X-ray and/or neutron diffraction studies. In practice, however, X-ray crystallography is rarely applied in routine organic chemistry due to intrinsic limitations of both the analytes and the technique. Here we report the use of the electron cryo-microscopy (cryoEM) method microcrystal electron diffraction (MicroED) to provide routine and unambiguous structural determination of small organic molecules. From simple powders, with minimal sample preparation, we could collect high-quality MicroED data from nanocrystals (∼100 nm, ∼10 g) resulting in atomic resolution (<1 Å) crystal structures in minutes.
External linksACS Cent Sci / PubMed:30555912 / PubMed Central
MethodsEM (electron crystallography)
Resolution0.77 - 1.91 Å
Structure data

EMDB-9282:
MicroED map of biotin at 0.9 A resolution
Method: EM (electron crystallography) / Resolution: 0.9 Å

EMDB-9283:
MicroED map of brucine at 0.9 A resolution
Method: EM (electron crystallography)

EMDB-9284:
MicroED map of carbamazepine at 1.0 A resolution
Method: EM (electron crystallography)

EMDB-9285:
MicroED map of cinchonine at 1.0 A resolution
Method: EM (electron crystallography)

EMDB-9286:
MicroED map of ethisterone at 0.9 A resolution
Method: EM (electron crystallography)

EMDB-9287:
MicroED map of HKL-I-029 at 1.0 A resolution
Method: EM (electron crystallography) / Resolution: 1.0 Å

EMDB-9288:
MicroED map of ibuprofen at 1.1 A resolution
Method: EM (electron crystallography)

EMDB-9289:
MicroED map of (+)-limaspermidine at 0.77 A resolution
Method: EM (electron crystallography) / Resolution: 0.77 Å

EMDB-9290:
MicroED map of progesterone at 0.9 A resolution
Method: EM (electron crystallography) / Resolution: 0.9 Å

EMDB-9291:
MicroED map of acetaminophen at 0.8 A resolution
Method: EM (electron crystallography) / Resolution: 0.8 Å

9292

6mxf

EMDB-9292, PDB-6mxf:
MicroED structure of thiostrepton at 1.9 A resolution
Method: EM (electron crystallography) / Resolution: 1.91 Å

Chemicals

ChemComp-HOH:
WATER

Source
  • synthetic construct (others)
  • streptomyces azureus (bacteria)
KeywordsANTIBIOTIC

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