Hi all,
I tried to use phenix automr by using the gui and also I am using the latest version of phenix (courtesy of the phenix development team). I asked it to search for two molecules in the asymmetric unit but it finds just one also I am getting negative (-29) LLG value for the final solution. The map also does not look good. I also asked it to search for all possible space group, although I processed the data with P43212
automr finds a different one P41212.Will fixing the space group fix the
Hi Shya, It sounds to me as though phaser and automr are doing what they are supposed to do. The space group P41212 has the same point group as P43212 (and the same systematic absences) so from your raw data it is not possible to tell which (if either) is correct. Phaser evidently did not find a great solution as your LLG is negative and the map poor. Randy or others may give you some more detailed suggestions but here are some ideas: 1. Try a different search model (a different structure, a combination of models, trim off poorly-related parts) 2. Try changing the anticipated RMSD if you have set it instead of sequence identity. This could affect the calculation of the LLG. All the best, Tom T phenix problem? Does anyone know what is going on? I tried running phaser separately through ccp4 and phaser did find two molecules although the map
did not look good in this either. Shya _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb