Dear Jurgen, My understanding is that NCS restraint can significantly enhance the speed of calculation, but considering the subunits even with the eactly same sequence may not be identical, to have NCS restraint may be not necessary or may be not good for the refinement, am I right? Smith
At 2015-04-17 09:09:05, "Jurgen Bosch" <jbos...@jhu.edu> wrote: yes. Have two sets of NCS operators one that describe the four subunits and one describing the two subunits. If during the refinement of your structure you should find out that the subunits are not identical to each other you can relax the NCS weights. Jürgen ...................... Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Office: +1-410-614-4742 Lab: +1-410-614-4894 Fax: +1-410-955-2926 http://lupo.jhsph.edu On Apr 16, 2015, at 9:02 PM, Smith Lee <00000459ef8548d5-dmarc-requ...@jiscmail.ac.uk> wrote: Dear All, If a protein contains 6 subunits, 4 subunits from the same sequence (subunit A, B, C, D all from the same sequence), each of the 2 other subunits from 2 diffrent sequences (subunit E from the second sequence, subunit F from the third sequence), in this situation should I use NCS restraint or not? If my protein contains 2 subunits, both of the 2 subunits composed of the eaxctly same sequence, however supposing the 2 subunits have a little diffrent conformation, in this situation should we use NCS retraint or not? Smith
