Correction - 2.4 on the HOH-Na distance. Should have read the book, I guess.
-----Original Message-----
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
Bernhard Rupp
Sent: Monday, February 15, 2010 12:42 PM
To: [log in to unmask]
Subject: Re: [ccp4bb] Distinguishing Between Na+ and H2O
HOH-Na distance about 2.1 A.
Marjorie Harding's web page has a distance/geometry listing
and derived table is in my appendix (I mean the one of the book..)
http://tanna.bch.ed.ac.uk/index.html
http://eduliss.bch.ed.ac.uk/MESPEUS/
BR
-----Original Message-----
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of Jacob
Keller
Sent: Monday, February 15, 2010 12:26 PM
To: [log in to unmask]
Subject: [ccp4bb] Distinguishing Between Na+ and H2O
Dear Crystallographers,
I am looking at a 1.0 Angstrom structure which contains many waters, but I
am wondering whether some of them might really be sodium ions. Is there any
straightforward way to distinguish between these two, and if so, what is the
software which implements this? Although the electron density difference
between sodium and water should be very small, perhaps the binding geometry
would provide a clearer distinction? Has anybody encountered this question
before?
Regards,
Jacob Keller
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Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
Dallos Laboratory
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