Not very elegant way of doing what you want but as a last resort I used
distance criteria. P-O distance is 1.6A, S-O distance is 1.4A. Provided your
coordinate error is in the range of 0.1A you may cautiously suggest one or the
other. However, it may be impossible to prove that what you see is n
If the site is not really selective, I would model the one with the highest
concentration. If your data are really good an anomalous. Map would help.
Cheers,
Robbie
Sent from my Windows 10 device
From: CCP4 bulletin board on behalf of David Schuller
Se
You might be able to distinguish sulfate from phosphate by examining
hydrogen bonding partners. Phosphate can donate one or two hydrogen bonds
at neutral pH values, whereas sulfate is usually only a hydrogen bond
acceptor. (Having said that, we have published a structure where a sulfate
clearly int
There is an option in phenix.refine to do this, described here:
Automated identification of elemental ions in macromolecular crystal
structures. Echols N, Morshed N, Afonine PV, McCoy AJ, Miller MD, Read RJ,
Richardson JS, Terwilliger TC, Adams PD Acta Cryst. D70, 1104-1114 (2014).
Pavel
On Tue,
Dear Herman,
You can try this out, a web server though: https://csgid.org/metal_sites
Cheers,
Arnaud
From: CCP4 bulletin board on behalf of
"herman.schreu...@sanofi.com"
Reply-To: "herman.schreu...@sanofi.com"
Date: Tuesday 31 July 2018 at 14:39
To: "CCP4BB@JISCMAIL.AC.UK"
Subject: [ccp4bb]
How can one distinguish between a sulphate or phosphate in an electron
density map? Both are present in the mother liquor, and resolution is in
the range of 1.75 - 2.25 A
--
===
All Things Serve the Beam
==
Hi Herman,
Whatcheck does his as well for the metals. Chloride is not highly coordinated,
likes nitrogens, and has long coordination lengths (over 3A). Sulfate gives
huge blobs and sticks out in difference density or ridiculously low B-factors.
HTH,
Robbie
Sent from my Windows 10 device
_
Hi Herman,
out of the top of my head I think there is an option in Coot to check if
the water is highly coordinated and might be an ion and I think there was
also a function in Phenix to check for ions.
Cheers
Christian
schrieb am Di., 31. Juli 2018, 14:39:
> Dear BB,
>
>
>
> I know it has be
Dear BB,
I know it has been discussed some time ago, but a google search did not come up
with anything useful.
I need a program which analyzes the bound waters and suggests whether a
particular water might be a chloride, calcium, sulfate, sodium or something
else. Preferably a program that can
TheDepartment for Molecular Structural Biology at theGeorg-August-University
Goettingen (http://www.uni-goettingen.de/msb)seeks to recruit a postdoctoral
scientist in structural biology witha research focus directed towards the
structure and dynamics ofprotein-RNA complexes.
Theadvertised p
发自我的 iPad
> 在 2018年7月19日，15:33，Grant 写道：
>
> Help develop antivirals against human norovirus using techniques such as
> X-ray crystallography, cryo-EM, molecular biology, and cell culture.
> Experience in structural biology, especially X-ray crystallography required.
> Our lab is fully equipp
Dear All,
I am trying to connect to these two servers, but it seems like not working.
http://tanna.bch.ed.ac.uk/index.html
http://eduliss.bch.ed.ac.uk/MESPEUS/
Any alternate server that provides the same information?
Thank you.
Jobi
##
12 matches
Mail list logo
