@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Extra density close to phosphate bound to Zn2+
One thing to remember is that Li+ only has two electrons. It should be a
little more than twice the density of an hydrogen (because the charge pulls in
the electron cloud). If you are seeing lithium at 8 "
One thing to remember is that Li+ only has two electrons. It should
be a little more than twice the density of an hydrogen (because the
charge pulls in the electron cloud). If you are seeing lithium at 8
"sigma" you should be seeing the well located hydrogen atoms at 4
"sigma". Are you?
I
-- 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
:32
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] Re: [ccp4bb] Extra density close to phosphate bound to Zn2+
EXTERNAL : Real sender is owner-ccp...@jiscmail.ac.uk
Hi,
Thanks for your suggestions but I have tried to invert the phosphate and it is
not
fitting the map. The geometry is not correct
I always say this, but is there any feature in the anomalous map? You can
sometimes see S atoms.
Eleanor
And do the temperatre factors suggest anything about multiple occupancies
etc..
E
On Mon, 5 Aug 2019 at 16:32, Maria Håkansson
wrote:
> Hi,
>
> Thanks for your suggestions but I have tried
Hi,
Thanks for your suggestions but I have tried to invert the phosphate and it is
not
fitting the map. The geometry is not correct that way and it is too good data
to ignore and
to my knowledge a pentacoordinated phosphate is a non existent species.
That leaves me with ions.
Best regards,
Mar
