Hi Mudassar, The good new is that the data looks fine according to my experience and there are several ways to improve.
The first thing I noticed in your aimless log is: "Anisotropic deltaB A^2: 50.24". This indicates severe anisotropy in your diffraction data. You may consider to use some anisotropic correction tools if you can access to one; otherwise you have to ignore it and R values will remain high eventually. Other stats in aimless log look good to me though. Since you also have Phenix, I highly recommend to use Xtriage to make a quick summary of your data. It will warn you any major issue such as twinning, anisotropy or tNCS. You can find it on the top right corner in phenix.refine panel. Beside anisotropy, I also agree with Kay's comments on molecular replacement. Rwork/Rfree value of 0.43/0.46 usually indicates (at least) a partially wrong MR solution. If you can be confident that the model does truly fit the map, you MR solution might be partially correct. I will check the map to see there is any ghost density. You can also try to process the data in P1 space group first to see if there is any issue other than space group choices. Hope this will be helpful. Lande ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
