Dear Vito
I looked at the examples of I3C in 3e3d, 3e3s and 3e3t and certainly the latter
two show clear 2Fo-Fc for several I3Cs at a range of occupancies. So my mention
of the different difference maps’ effectiveness does not apply.
Hermann and Eleanor suggestions hopefully will explain your I3
[CCP4BB@JISCMAIL.AC.UK] de la part de Vito
> Calderone [calder...@cerm.unifi.it]
> *Envoyé :* mercredi 10 juin 2020 10:54
> *À :* CCP4BB@JISCMAIL.AC.UK
> *Objet :* [ccp4bb] R: [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms
> density
>
> Dear John,
>
>I would s
[calder...@cerm.unifi.it]
Envoyé : mercredi 10 juin 2020 10:54
À : CCP4BB@JISCMAIL.AC.UK
Objet : [ccp4bb] R: [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density
Dear John,
I would say that in that case the FoFc is basically flat.
Vito
Da: CCP4 bulletin board Per conto di John R Helliwell
Betreff: [EXTERNAL] [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density
EXTERNAL : Real sender is owner-ccp...@jiscmail.ac.uk
Dear Pierre,
I was in particular talking of 2FoFc refinement maps.
In the attached picture for example you can see the 2FoFc map contoured at 1
sigma level
Dear John,
I would say that in that case the FoFc is basically flat.
Vito
Da: CCP4 bulletin board Per conto di John R Helliwell
Inviato: mercoledì 10 giugno 2020 10:40
A: CCP4BB@JISCMAIL.AC.UK
Oggetto: Re: [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density
Dear Vito,
The
Dear Vito,
The I3C isn't like the platins as a challenge to the 2Fo-Fc map.
It maybe is more akin to the situation we described here:-
https://onlinelibrary.wiley.com/doi/abs/10.1107/S0907444903004219
ie what does your Fo-Fc map, with three iodines placed, at the correct
occupancy, look like?
Bes
