Hi there Just wondering if anyone has any suggestions how I can deal, if possible, with the following situation -. My first encounter with twinned data...
which initially indexed as p43/p41 cell dimensions 58.4 58.4 61 90 90 90. Having seen the Matthews Coefficient for the solvent content of the unit cell as 16% I discovered the data are merohedrally twinned with twin fraction given as 0.1. I reprocessed the data as p1, p2 p21, c2221 (Rsymm etc indicates wrong space group, Mats Coeff 16%) p4 etc. In p2 the (pseudo) twin fraction is given as 0.43 (Mats Coeff 60% solvent 2.7 mol/ASU). I ran Detwin (ccp4) on the p2 p21 data with alternate operators as indicated by Xtriage in Phenix. I have had no molecular replacement solution i.e. Molrep rotational searches are not giving peaks and Phaser has not found a solution (nor with alternates of the search "model"). Does anyone have any suggestions/best paper to consult etc based on their experience of twinned data (aside from sort the crystals out...) or should I "throw in the towell?" Thanks in advance for any information and advice Gina Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, New Jersey, USA 08889), and/or its affiliates Direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system.
