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Dear all,
We have experienced nitril groups not present in the electron densityafter data collection on compounds bound to different proteins.
In one of the projects the compound was tested by MS to check thatthe nitril is present in solution before data collection (crystals used to for MS analysis).The nitril should be present since the molecular weight of the compound is the same.
Also the crystals have been exposed using 10% of the beam (instead of 100%) to try to makethe effect of radiation damage as small as possible. Still the nitril is not present.
In both cases the nitril atoms have been modeled with high temperature factors butthe electron density is missing, see parts of the compound in the image below contoured at 1 sigma level and in a 1.1 Å electron density map.
Has anyone else experienced this?
Best regards,Maria
Maria Håkansson, PhD, Crystallization <Screenshot 2019-02-26 at 13.34.17.png>Facility ManagerPrincipal Scientist
SARomics Biostructures AB
Medicon Village
SE-223 81 Lund, Sweden
Mobile: +46 (0)76 8585706
Web: www.saromics.com
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