for deposition you don't need to do something special just your output, the TLS definitions etc. are in the REMARK header. When reporting your B-values in the paper however you will have to run TLSANL and report those. The "artificial low" B-values are the residuals, therefore they are so low. I assume you have checked out Ethans TLSMD web server, which has lots of details about the theory etc.
see here: http://skuld.bmsc.washington.edu/~tlsmd/ Jürgen On Aug 9, 2011, at 4:26 AM, Jeffrey D Brodin wrote: Hi everyone, I'm currently working on refining a structure and have found that including tls parameters improves the r-factors and map quality. From previous threads I've seen that using TLS refinement leads to B values that are artificially low. I ran tlsanl as suggested and the average B value increased back to a reasonable value. What I'm wondering now is when I go to deposit the structure in the PDB do I use the output from tlsanl that includes anisoU values or do I use the refmac output and include details of the refinement procedure. This is my first time refining using TLS, so any help would be greatly appreciated. Sorry if this question has already been answered but I couldn't find a similar topic. Jeff ...................... Jürgen Bosch Johns Hopkins Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Phone: +1-410-614-4742 Lab: +1-410-614-4894 Fax: +1-410-955-3655 http://web.mac.com/bosch_lab/
