-- Forwarded message -
From: Daniel M. Himmel, Ph. D.
Date: Mon, Aug 5, 2019 at 12:45 PM
Subject: Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] Extra density close to
phosphate bound to Zn2+
To:
Pentagonal phosphate geometry would be a transition state, except that
three oxygens
PS, you also have to define an alternative conformation, but that you probably
already did.
Von: Schreuder, Herman /DE
Gesendet: Montag, 5. August 2019 17:55
An: 'Maria Håkansson'; CCP4BB@JISCMAIL.AC.UK
Betreff: AW: [EXTERNAL] Re: [ccp4bb] Extra density close to phosphate bound to
Zn2+
Hi
Hi Maria,
Did you rotate the phosphate, or invert it? If you invert the phosphate, you
may get into trouble with the parameters. Although a phosphate is symmetric,
its oxygens have different names and inverting it leads to all kind of
problems, especially in a high resolution map which does
