Re: [ccp4bb] Ideas for improving refinement with anisotopic data.

2020-06-22 Thread vincent Chaptal
Dear Matthew, at your resolution, 1.7A, you are seeing a large difference in resolution limits. I'd be curious to know how much "anisotropy" you have in the single number anisoB. Could you share it? As to building felxible loops or peptide, I suspect you anisoB to be mild (<40A2 for your

Re: [ccp4bb] Ideas for improving refinement with anisotopic data.

2020-06-21 Thread Gerard Bricogne
Dear Matthew, You seem to have been unlucky with this data collection. STARANISO would be prepared to see significant data extending to 2.0A along a*, 2.7A along b*, and 1.7A along c*. The latter limit, however, involves some guess work via the fitting by an ellipsoid of a cut-off surface

Re: [ccp4bb] Ideas for improving refinement with anisotopic data.

2020-06-21 Thread Eleanor Dodson
*Please* dont throw good 1.8A data for the sake of statistics! You should see more detail along certain directions You will publish your structure providing honest details of the anisotropy (I hope..) but it is the map quality that matters .. Eleanor On Sun, 21 Jun 2020 at 15:16, Matthew Snee <

[ccp4bb] Ideas for improving refinement with anisotopic data.

2020-06-21 Thread Matthew Snee
Hi everyone. I have an x ray structure that I am finishing up, and there are a few ambiguous regions where the peptide is poorly resolved. The data is highly anisotrophic, and requires truncation to around 2.4A to achieve acceptable merging stats, although there is data in the "good"