10% of which beam?

-James Holton
MAD Scientist

On Feb 26, 2019, at 1:38 PM, Maria Håkansson 
<maria.hakans...@saromics.com<mailto:maria.hakans...@saromics.com>> wrote:

Dear all,

We have experienced nitril groups not present in the electron density
after data collection on compounds bound to different proteins.

In one of the projects the compound was tested by MS to check that
the 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 make
the 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 
but
the 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 Manager
Principal Scientist

SARomics Biostructures AB
Medicon Village
SE-223 81 Lund, Sweden

Mobile: +46 (0)76 8585706
Web: www.saromics.com<http://www.saromics.com>





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