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Re: [ccp4bb]: monovalent cations in e-density
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K+ has twice the nr of electrons of Na+/NH4+
NH4+ would be expected to donate H-bonds
Na+ see M Nayal & E Di Cera, JMB 256, 228-234 (1996)
the USF program XPAND has a "water scrutiniser" which
looks at surrounding atoms of entities modeled as
water to see if they might be something else
--dvd
> Maybe not CCP4-related, but I am seeking guidance on interpreting
> e-density that appears to arise from monovalent cations -- how to
> differentiate, e.g., Na+, K+, NH4+. Any relevant references and/or
> programs would be appreciated.
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Gerard J. Kleywegt
Dept. of Cell & Molecular Biology Bolshevik University of Uppsala
Biomedical Centre Box 596
SE-751 24 Uppsala SWEDEN
http://xray.bmc.uu.se/gerard/ mailto:gerard@xray.bmc.uu.se
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