Hello Niu, Do you have pseudo translation. It could echo of another molecule that might be in correct orientation.
Regards Garib On 14 Nov 2013, at 22:47, Phil Jeffrey <pjeff...@princeton.edu> wrote: > Hello Niu, > > 1. We need extra information. What program did you use ? What's the > similarity (e.g. % identity) of your model. What's your space group ? Did > you try ALL the space groups in your point group in ALL the permutations > (e.g. in primitive orthorhombic there are 8 possibilities). > > 1a. My best guess on limited info is that you've got a partial solution in > the wrong space group with only part of the molecules at their correct > position. > > 2. I recently had a very unusual case where I could solve a structure in > EITHER P41212 or P43212 with similar statistics, but that I would see > interpenetrating electron density for a second, partial occupancy molecule no > matter which of these space groups I tried (and it showed this when I > expanded the data to P1). Might conceivably be a 2:1 enantiomorphic twin, in > retrospect, but we obtained a more friendly crystal form. I hope you don't > have something like that, but it's possible. > > Phil Jeffrey > Princeton > > On 11/14/13 5:22 PM, Niu Tou wrote: >> Dear All, >> >> I have a strange MR case which do not know how to interpret, I wonder if >> any one had similar experiences. >> >> The output model does not fit into the map at all, as shown in picture >> 1, however the map still looks good in part regions. From picture 2 we >> can see even clear alpha helix. I guess this could not be due to some >> random density, and I have tried to do MR with a irrelevant model >> without producing such kind of regular secondary structure. >> >> This data has a long c axis, and in most parts the density are still not >> interpretable. I do not know if this is a good starting point. Could any >> one give some suggestions? Many thanks! >> >> Best, >> Niu >> >> Dr Garib N Murshudov MRC-LMB Francis Crick Avenue Cambridge CB2 0QH UK Web http://www.mrc-lmb.cam.ac.uk, http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/
