Re: [ccp4bb] Nitril groups not present on compounds

2019-02-26 Thread Holton, James M
10% of which beam? -James Holton MAD Scientist On Feb 26, 2019, at 1:38 PM, Maria HÃ¥kansson 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 th

Re: [ccp4bb] Nitril groups not present on compounds

2019-02-26 Thread Mark J van Raaij
Hi Maria, from the picture, it looks like disorder to me. Note that the three non-H atoms at the top of the ring also have significantly less density than the five non-H atoms that are closer to the protein. Perhaps the compounds is just quite wobbly in it's binding site. Mark J van Raaij Dpto