Dear Phenix experts,
our project involves crystals A and B, which are nearly isomorphous and of a protein’s complexes with two different small molecules, respectively. A diffracts better than B.
The r-free flag from A was “attached” to B‘s input reflections with the CCP4 cad command and is still associated to B‘s slightly different cell dimensions. Would/should this be reason enough for refine to throw an error? The error message suggests changing the refinement.input.symmetry_safety_check setting. Can this setting be changed in the GUI?
Thank you.
Wolfram Tempel