Hi Murpholino,
You could go the route of comparing refined models, as described by Dr. Yorke.
As Dr. Dodson describes, isomorphous difference maps are another way to compare
datasets. A benefit is that they do not require separate refinement of models
for both states, which can render the
I like to use difference maps between Fa and Fb ..
It is a bit tricky now to set them up..but they do highlight changes.
Obviously
1) you need to have the same spacegroup and cell, and the same indexing
convention.
(Easy to check this in the data processing task when importing the second
data
Hi Murpholino,
Helen Ginn is developing software to characterise changes in protein structures
(especially informative when the changes are small but significant)– there is a
web app and a download here:
https://rope.hginn.co.uk
I recommend watching the youtube tutorial.
From: CCP4 bulletin
Make sure everything is built. Sometimes it is the crystallisation agents that
sit at surprising places:
https://onlinelibrary.wiley.com/doi/full/10.1002/pro.2923
Cheers,
Robbie
> -Original Message-
> From: CCP4 bulletin board On Behalf Of
> Murpholino Peligro
> Sent: Tuesday, April
Hi...
Let's say I want to compare the same protein crystallized in different
conditions. Same space group, almost same resolution. The global RMSD will
be pretty small (around 0.3 Angstroms). There will be some changes in
rotamers in some residues and some extra waters here and there... Besides
