[phenixbb] PDB deposition of tls refined structure

Rene Jorgensen rj at uoguelph.ca
Tue Oct 30 07:15:04 PDT 2007

Dear phenix users,

I am about to deposit a 2.5A structure at the PDB. The structure has  
been refined using phenix.refine with strategy=tls+individual_sites 
+individual_adp, which actually works very well but (because of the  
tls refinement) also results in the output of ANISOU records for the  
atoms in the PDB file. When using PDB_extract during the PDB  
submission process the ANISOU record is picked up as regular  
anisotropic refinement although the resolution is too low for that.

Should I just accept it and leave it as it is or should I correct the  
info in the Auto Dep Input Tool (ADIT) to isotropic with just the  
regular b-factor values?

Thanks in advance,

Rene Jorgensen

More information about the phenixbb mailing list