Re: [ccp4bb] Heavy atom vs light atoms density

2020-06-12 Thread Pavel Afonine
Hi Vito, many of us have probably experienced that, in the > diffraction of protein ligands containing heavy atoms (cisPt, I3C, etc), > the overwhelming electron density of the metal can totally flatten that of > the light atoms around (or rather make it look insignificant). > I wo

Re: [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density

2020-06-10 Thread Jrh Gmail
tness (maybe intensity overloads). >> Another source condition could be local X-ray dose degradation due to the >> high absoption of the metals. >> Best regards, >> Pierre Legrand >> PROXIMA-1, SOLEIL >> ________________ >> De : CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] de la pa

Re: [ccp4bb] R: [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density

2020-06-10 Thread Eleanor Dodson
[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

Re: [ccp4bb] R: [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density

2020-06-10 Thread LEGRAND Pierre
[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

[ccp4bb] AW: [EXTERNAL] [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density

2020-06-10 Thread Schreuder, Herman /DE
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

[ccp4bb] R: [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density

2020-06-10 Thread Vito Calderone
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

Re: [ccp4bb] R: [ccp4bb] Heavy atom vs light atoms density

2020-06-10 Thread John R Helliwell
conto di LEGRAND Pierre > Inviato: mercoledì 10 giugno 2020 09:31 > A: CCP4BB@JISCMAIL.AC.UK > Oggetto: Re: [ccp4bb] Heavy atom vs light atoms density > > Dear Vito, > Could you precise in what kind of maps are you experiencing these effects: > 2FoFc refinement maps or experimen

Re: [ccp4bb] Heavy atom vs light atoms density

2020-06-10 Thread John R Helliwell
Dear Vito, We accumulated quite a good deal of knowledge of this type of complex, firstly the platins, then later, led by Dr Alice Brink, rhenium complexes with proteins. This review describes some of this:- https://pubs.rsc.org/en/content/articlelanding/2017/mt/c7mt00219j#!divAbstract The fla

Re: [ccp4bb] Heavy atom vs light atoms density

2020-06-10 Thread LEGRAND Pierre
part de Vito Calderone [calder...@cerm.unifi.it] Envoyé : mercredi 10 juin 2020 08:42 À : CCP4BB@JISCMAIL.AC.UK Objet : [ccp4bb] Heavy atom vs light atoms density Dear All, many of us have probably experienced that, in the diffraction of protein ligands containing heavy atoms

[ccp4bb] Heavy atom vs light atoms density

2020-06-09 Thread Vito Calderone
Dear All, many of us have probably experienced that, in the diffraction of protein ligands containing heavy atoms (cisPt, I3C, etc), the overwhelming electron density of the metal can totally flatten that of the light atoms around (or rather make it look insignificant). Is anyone a