what you can do (I did this for our last two structures) is send them
multiple datasets, for instance the different derivative datasets or
MAD wavelength datasets, then users of the pdb can calculate their
own phases.
Mark
On 15 Dec 2006, at 16:05, William Scott wrote:
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I've tried to give them phases. They won't take them. I think it
would
be really helpful to have the experimental map (or a composite-omit
map in
the case of MR). I don't think there is a way of representing the
latter
as phases, so the option to submit phases and/or map should be
available.
Peter Adrian Meyer wrote:
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I agree that more information to referees is desirable, & I've often
wanted to see the coordinates and the structure factors to check
things.
But to follow up after publication, there are still a lot of
structures
deposited without structure factors - why is deposition of structure
factors not compulsory? And who can change things so that
This is probably an idiot newbie question, but the vast majority of
structures I've seen in the PDB w\ "structure factors" only have
amplitudes. Granted, you could calculate phases from the model; but
shouldn't a structure factor be a complex number instead of a real
number?
I'd think there should be the experimental phases, or at least model
phases with the weighting scheme the authors used for their final
maps for
it to be called a structure factor...but evidentally I'm wrong.
Pete
Pete Meyer
Fu Lab
BMCB grad student
Cornell University
Mark J. van Raaij
Dpto de Bioquímica, Facultad de Farmacia
and
Unidad de Rayos X, Edificio CACTUS
Universidad de Santiago
15782 Santiago de Compostela
Spain
http://web.usc.es/~vanraaij/
