Re: [ccp4bb] Residual density feature

[Boaz Shaanan]

Hi Colin, You may have tried this but just in case you haven't, perhaps you should try put a few water molecules in the blob and refine? After that the geometry of the water arrangement may give you a better idea what the blob represents. It worked for me in quite a few cases.    Cheers,               Boaz     Boaz Shaanan, Ph.D.                                         Dept. of Life Sciences                                      Ben-Gurion University of the Negev                          Beer-Sheva 84105                                            Israel                                                                                                                  E-mail: bshaa...@bgu.ac.il Phone: 972-8-647-2220  Skype: boaz.shaanan                  Fax:   972-8-647-2992 or 972-8-646-1710                          From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Colin Levy [c.l...@manchester.ac.uk] Sent: Sunday, June 14, 2015 11:53 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Residual density feature Dear all, I am currently working on a structure that contains a residual density feature located within the active site. Due to a combination of factors including limited occupancy, modest resolution, twinning etc it has not been possible to unambiguously identify this feature despite fairly extensive efforts.  What is the best way of dealing with such a feature when depositing the structure? Ideally I would like to draw attention to the presence of residual density whilst not implying that I have been able to identify it. Many thanks, Colin Manchester Protein Structure Facility Dr. Colin W. Levy MIB G034 Tel.  0161 275 5090 Mob.07786 197 554 c.l...@manchester.ac.uk