<div dir="ltr">Hi all,<div>I am running into the following problem during the refinement of a rather small structure at 2.15Å resolution:</div><div><br></div><div>An Arg side chain is located very close to a crystallographic 2-fold. There is good evidence that the side chain has two conformations. However, because of the 2-fold, conformer A overlaps with its symmetry mate A*, as does conformer B. Phenix wants to avoid this 'clash' and moves A and A* out of the density, same for B and B*.</div><div><br></div><div>Is there a way to avoid this without reducing the symmetry? In the real crystal, of course the two side chains are agnostic as to if they are called A or B and will avoid one another ...</div><div><br></div><div>Thanks!</div><div>Jan</div><div><div><br></div>-- <br><div class="gmail_signature">Jan Abendroth<br>Emerald Biostructures<br>Seattle / Bainbridge Island, WA, USA<br>home: <a href="http://Jan.Abendroth_at_gmail.com" target="_blank">Jan.Abendroth_at_gmail.com</a><br>work: JAbendroth_at_embios.com<br><a href="http://www.emeraldbiostructures.com" target="_blank">http://www.emeraldbiostructures.com</a><br></div>
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