Uridine 5¿-monophosphate potassium salt [K(UMP)] single-crystal neutron diffraction studies. Towards accurate electron density elucidation

DOI

To perform charge density studies for a series of uridine 5¿-monophosphate potassium salts which differ one from another due to the different amount of potassium atoms and water molecules per one uridine fragment in their crystal structures we need high quality neutron data (ADPs and H-atom positions) for at least one compound from the series. We would like to apply for ca. 2-3 days of data collection on the SXD beamline in order to perform two-temperature studies (at 10 K, 100 K) on one of our single crystals. We would like to correlate and compare the charge density and electrostatic properties based on experimental data of such system with those obtained by the use of a new version of the UBDB databank of pseudoatoms. The UBDB databank was recently improved and extended of a great number of new atom types paying special attention to those present in the nucleic acids. Our experimental

Identifier
DOI https://doi.org/10.5286/ISIS.E.24086432
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24086432
Provenance
Creator Professor Krzysztof Wozniak; Miss Katarzyna Jarzembska; Dr Radoslaw Kaminski
Publisher ISIS Neutron and Muon Source
Publication Year 2014
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2011-07-19T07:30:49Z
Temporal Coverage End 2011-07-22T23:54:17Z