Dear Faisal, The PDB_REDO server returns a .pdb file with residual B-factors after TLS, to submit a model to the PDB it has to have total B-factors. To get those you can run the CCP4 program TLSANL. The program can read the TLS information straight from the .pdb file, but if you have an older version, you can use the .tls file that the server provides.
That said, I recommend that you have a look at the changes the PDB_REDO server made to your model. You can use the COOT script that the server also writes out to quickly go through the changes (see: http://www.cmbi.ru.nl/pdb_redo/faq.html#cootscript). If you have to fix something manually in COOT, you can save the changes and use the .refmac file from the server to quickly load all the optimised settings for REFMAC (see: http://www.cmbi.ru.nl/pdb_redo/faq.html#refcom). Cheers, Robbie http://xtal.nki.nl/PDB_REDO http://www.cmbi.ru.nl/pdb_redo > -----Original Message----- > From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of > Faisal Tarique > Sent: Monday, January 27, 2014 21:25 > To: [email protected] > Subject: [ccp4bb] pdbredo > > Dear all > > I have solved a structure of a protein at 2.1A..the R and free R is 21 and > 26..for the betterment of its refinement statistics i submitted the coordinate > and structure factor file to we based server "PDB_REDO" > which improved the R and Rfree to 18 and 23, (which probably does through > TLS refinement)..My question is whether the out put from the Pdb redo > server with improved statistics can be de submitted to protein data bank > RCSB as its ? > > > > -- > Regards > > Faisal > School of Life Sciences > JNU
