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-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hi Mario, Did you check that the unit cell and space group are the same in your coordinates and reflection files? How did you convert the CNS reflection file to the mtz file? Sometimes, some conversion utilities may do weird things... Check a few reflections, to see if they are consistent. What happens to the R factors? Cheers, Miguel Mario Sanches wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Dear all, > > I am refining a low resolution structure (3.0A) in refmac. The problem > is that no matter which value I choose for matrix weight the RMSD for > bonds stays higher than 0.3A (yes, I didn't mistype it, it is really > 0.3A). I have tried matrix weight as low as 0.01 and also AUTO. > > Since there is two subunits in the assymetric unit I am refining using > NCS. I also tried turning it off but the problem persists. The > coordinate file I entered to refmac came from CNS were I had no problem > with geometry. Since refmac has some advantages (like TLS refinement) I > always try to change to refmac at the end of the refinement. > > Is there something I am missing? Thanks in advance for all kind of > suggestions, > > Mario Sanches > - -- Miguel Ortiz Lombardía Centro de Investigaciones Oncológicas C/ Melchor Fernández Almagro, 3 28029 Madrid, Spain Tel. +34 912 246 900 Fax. +34 912 246 976 email: [EMAIL PROTECTED] www: http://www.ysbl.york.ac.uk/~mol/ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Je suis de la mauvaise herbe, Braves gens, braves gens, Je pousse en liberté Dans les jardins mal fréquentés! Georges Brassens -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.1 (GNU/Linux) iD8DBQFE2z90F6oOrDvhbQIRAuGiAKCGeaqXAoeRrEa3fzmJfZmEjPiikACdEBsZ LJcRp4OgPfJlpsH2743nCgM= =nh84 -----END PGP SIGNATURE-----
