<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>72(Pt 2)</volume><submitter>van Genderen E</submitter><pubmed_abstract>Until recently, structure determination by transmission electron microscopy of beam-sensitive three-dimensional nanocrystals required electron diffraction tomography data collection at liquid-nitrogen temperature, in order to reduce radiation damage. Here it is shown that the novel Timepix detector combines a high dynamic range with a very high signal-to-noise ratio and single-electron sensitivity, enabling ab initio phasing of beam-sensitive organic compounds. Low-dose electron diffraction data (∼ 0.013 e(-) Å(-2) s(-1)) were collected at room temperature with the rotation method. It was ascertained that the data were of sufficient quality for structure solution using direct methods using software developed for X-ray crystallography (XDS, SHELX) and for electron crystallography (ADT3D/PETS, SIR2014).</pubmed_abstract><journal>Acta crystallographica. Section A, Foundations and advances</journal><pagination>236-42</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC4770873</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector.</pubmed_title><pmcid>PMC4770873</pmcid><pubmed_authors>Portillo Q</pubmed_authors><pubmed_authors>Pannu NS</pubmed_authors><pubmed_authors>van Genderen E</pubmed_authors><pubmed_authors>Gruene T</pubmed_authors><pubmed_authors>Clabbers MT</pubmed_authors><pubmed_authors>Abrahams JP</pubmed_authors><pubmed_authors>Stewart A</pubmed_authors><pubmed_authors>Nederlof I</pubmed_authors><pubmed_authors>Nicolopoulos S</pubmed_authors><pubmed_authors>Das PP</pubmed_authors><pubmed_authors>Barentsen KC</pubmed_authors></additional><is_claimable>false</is_claimable><name>Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector.</name><description>Until recently, structure determination by transmission electron microscopy of beam-sensitive three-dimensional nanocrystals required electron diffraction tomography data collection at liquid-nitrogen temperature, in order to reduce radiation damage. Here it is shown that the novel Timepix detector combines a high dynamic range with a very high signal-to-noise ratio and single-electron sensitivity, enabling ab initio phasing of beam-sensitive organic compounds. Low-dose electron diffraction data (∼ 0.013 e(-) Å(-2) s(-1)) were collected at room temperature with the rotation method. It was ascertained that the data were of sufficient quality for structure solution using direct methods using software developed for X-ray crystallography (XDS, SHELX) and for electron crystallography (ADT3D/PETS, SIR2014).</description><dates><release>2016-01-01T00:00:00Z</release><publication>2016 Mar</publication><modification>2025-04-25T19:03:15.54Z</modification><creation>2019-03-27T00:04:29Z</creation></dates><accession>S-EPMC4770873</accession><cross_references><pubmed>26919375</pubmed><doi>10.1107/S2053273315022500</doi></cross_references></HashMap>