Re: [ccp4bb] shelxl/missing residues

2007-02-27 Thread Paul Emsley
In Coot, you can "beam in an xxx" where xxx in this case is an "acetate" using File -> Search Monomer Library Text: "acetate" Click Search Click "ACT: Acetate ion" You can then Use Copy Molecule on this monomer and "Move molecule" to move the copies to where you want them and use "Merge Molecu

Re: [ccp4bb] shelxl/missing residues

2007-02-26 Thread Arti S. Pandey
Hi Sam, Ideally, with the R factor you are at, you should be able to build these residues in, using Coot/Ono/xtalview and then refine with shelxl. If you want to go to shelxl straightaway, you might want to refine res 9-86 as one chain and res 94-last residues as another. I guess you could mutate a

[ccp4bb] shelxl/missing residues

2007-02-26 Thread U Sam
Hi I would appreciate few things for my protein structure. Data is 1.5A. This protein is of 400 residues. 2 molecule in the asymm unit. Missing residues are : N-terminal 8 residues, C-terminal 5 residues and in the middle residues 87-93. Final R(working) = 21% after refmac refinement. Some (not a