Hi Intekhab, With 6 copies of the complex in ASU, NCS averaging might give you a better map. Uppsala software factory has everything you need to do that: http://xray.bmc.uu.se/usf/. Check the RAVE package. Particularly, have a look at the average.csh script listed in the RAVE package page in the "related freebies" section. That is a script made by Gerard Kleywegt and Tom Taylor for doing N cylcles of map averaging. You can modify it for your own use.
I owe my own thanks to the authors too. Zhijie From: intekhab alam Sent: Tuesday, April 03, 2012 9:37 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] modelling a flexible peptide Hi All I have a 3.0A dataset (SG P1211) of a protein-protein complex having mol.wt 60 and 8 Kda respectively. Molecular repalcement (60Kda protein as template) with Phaser gave a solution with 6 molecules in ASU. A continuous density is also obersved near two different chains which i consider as the second protein. I refined the density using a poly Alanine model but still i can't recognise the side chains confidently for modelling. Considering the fact that the smaller protein partner is rich in lysine, arginine, Asp and Glutamate with only 3 tyr and 4 phe, i tried to modell fragments one by one but the B-factor of the segments are quite high (in the range of 110) what will be the best strategy to improve the map for modelling. regards -- INTEKHAB ALAM LABORATORY OF STRUCTURAL BIOINFORMATICS KOREA UNIVERSITY, SEOUL
