-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Paul,
have you actually tried using the 'alternate location indicator' with two different residues? I would not be surprised if that would work with refmac. Best, Tim On 08/23/2013 05:39 PM, Paul Paukstelis wrote: > Greetings, > > We have been working on a few DNA crystals in which the asymmetric > unit contains a stoichiometric (or nearly so) mixture of two > similar but distinct oligonucleotides. The resolution is medium to > low (2.7-2.8) but for a few of these there are some hints from the > density for two different bases at the same position. I'm curious > what the best way to approach refinement would be in this case. > Alternate conformation doesn't really work since the residues have > different nucleobases. Having two complete chains with 0.5 > occupancy is overkill since there are only 2 (or 4) positions in > which the sequence differs. I tried just adding a second chain for > the varying residues at 0.5 occupancy and adding link records to > the original chain, however this doesn't seem to respect geometry > of the phosphodiester for the flanking residues. I would appreciate > suggestions or any examples in the PDB that might set me in the > right direction. > > --paul > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.14 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFSF4T7UxlJ7aRr7hoRAtC9AKCeIcRnKeCrsW4/QY7ad5xooRw73wCgvEpw ite155+O8JylmpSS454gYXM= =3lH/ -----END PGP SIGNATURE-----
