I am currently in the final steps of refining a 1.3A structure and am coming across a slight problem. According the the pdb file, I have an Rmsd bond length of 2.55. MolProbity identifies three outliers which correspond to the bond lengths of: Asp: C--O , bond length = 1.2A Arg: C--O , bond length = 1.15A Ala: N--Ca , bond length = 1.43A
Real space refinement in Coot does not help and if I Regularize the zone it completely distorts the backbone. So my question is, how do I fix these bond length outliers? Do I need to be concerned with them? Any advice will be much appreciated. Thank you! ------------------------------------------------------------------------------- Greg Costakes PhD Candidate Department of Structural Biology Purdue University Hockmeyer Hall, Room 320 240 S. Martin Jischke Drive, West Lafayette, IN 47907 --------------------------------------------------------------------------------
