Hi Nilofer,

We have just published a paper in Acta Cryst D which gives some of this information.

Agniswamy J, Joyce MG, Hammer CH, Sun PD. Towards a rational approach for heavy-atom derivative screening in protein crystallography. Acta Cryst. (2008). D64, 354-367.

There is also an online server which we have created that will allow you to judge the most appropriate heavy metal compounds for trials with your protein. http://sis.niaid.nih.gov/cgi-bin/heavyatom_reactivity.cgi

There are a number of other older papers from our group also that are very informative regarding time and concentration conditions for soaking.

Sun PD, Radaev S, Kattah M, Generating isomorphous heavy-atom derivatives by a quick-soak method. Part I: test cases. Acta Cryst. D58:1092-1098,2002

Sun PD, Radaev S., Generating isomorphous heavy-atom derivatives by a quick-soak method. Part II:phasing of new structures. Acta Cryst. D58:1099-1103,2002

All of these papers can be found at http://sis.niaid.nih.gov/publications.htm

Gordon

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From: Nilofer Husain [mailto:[log in to unmask]]
Sent: Wednesday, June 11, 2008 11:04 AM
To: [log in to unmask]
Subject: [ccp4bb] Heavy Atom Derivative Site

Hi All,

I am looking for a service tool on the web where I can submit my protein sequence and obtain data information of the Heavy Atom (concentration,time for soaking etc) that will be compatible with the sequence I provide. 

One of the known site to me http://hatodas.harima.riken.go.jp/ does not seem to work.

Any guidance in this regard will be great.

Thanks in Advance
Nilofer Husain