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Re: [ccp4bb]: R32 pseudotranslational symmetry in crystal
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Not to beat a dead horse, but have you ruled out twinning? I had an R3
molecular replacement that did essentially the same. Loop density was
poor and refinement was stuck in the forties with maps that said it
shouldn't be so. Take a good look at your data just to be sure.
On Tue, 25 Feb 2003, N.Manoj wrote:
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> We have a problem in refining a structure in space group R32.
>The data processed to 2.9A with overall Rmerge of 5%, 98% completeness
>and redundancy of 5. AMoRe gave clear solutions for the two expected
>molecules in the asymmetric unit. The packing looked good, but the
>structure could not be refined below 45% R-factor. Electron density for
>one monomer is good while it is very poor for the other monomer.
>The two molecules are identical (same rotation function values) in
>orientation and are translated by almost 1/2 along the Z axis. I would
>like to know if there is some way of going about refining this
>I remember some discussion about refinement of structures with pseudo
>translational symmetry in the ccp4 BB some time back.
>Thanks in advance
Christopher L. Colbert, Ph.D.
Howard Hughes Medical Institute Phone: (214) 648 5002
University of Texas Southwestern Medical Center FAX: (214) 648 5095
5323 Harry Hines Boulevard
Dallas, TX 75390