Re: [ccp4bb] Best compounds for heavy atom soaks

2014-01-16 Thread RHYS GRINTER
Hi All, A truly herculean response! Thanks everyone, I will process all of the information and come up with a strategy. Rhys

Re: [ccp4bb] Best compounds for heavy atom soaks

2014-01-16 Thread David Briggs
Hi Rhys, It's worth paying close attention to your crystallisation conditions as well - some heavy atom compounds will not be at all soluble in very alkaline (they'll form insoluble hydroxides) or phosphate/sulphate containing mother liquors. A very low pH may reduce the binding efficiency of

Re: [ccp4bb] Best compounds for heavy atom soaks

2014-01-16 Thread Gaudet, Rachelle
Hi John, Another way to screen for mercury derivatives. Rachelle vincent Chaptal vincent.chap...@ibcp.fr wrote: Hi Rhys, you already have a lot of suggestions to try. We all have our own reciepe for good derivatization, and this is due to the fact that we don't really understand what is

Re: [ccp4bb] R-factors from SfCHECK versus R-factors from PHENIX

2014-01-16 Thread Eleanor Dodson
SFCHECK is a very quick and dirty report generator - On 15 January 2014 21:42, Pavel Afonine pafon...@gmail.com wrote: Hi Ursula, you will find answers here: http://www.phenix-online.org/papers/he5476_reprint.pdf Pavel On Wed, Jan 15, 2014 at 1:38 PM, Ursula Schulze-Gahmen

[ccp4bb] Abstract Submission for BCA Spring Meeting 2014

2014-01-16 Thread Jonathan Cooper
Dear BCA members, The 2014 Spring BCA meeting is not far away now and the abstract submission deadline is fast approaching – 1 week remains! Abstracts can be submitted at: http://www.hg3.co.uk/bca/ The deadline for submissions is 9 am on Monday January 20th. This deadline applies to both oral

[ccp4bb] Docking model

2014-01-16 Thread Thomas RORET
Hi, I made one docking model of a protein complex by NMR and another one by modeling. I wanted to knowwhich software to useto minimize the energy (close contacts, H bonds, ...) best regards, Thomas. -- Thomas RORET BioMod Team Tel. 00 333 83 68 47 89 CRM2 UMR CNRS-UL 7036 Faculté des Sciences

Re: [ccp4bb] Docking model

2014-01-16 Thread FOOS Nicolas
Hi Thomas, maybe you can try to use AMBER programs. http://ambermd.org/ I think these programs allow you to use different forcefield to minimise the energy of your model. Hope to Help Nicolas De : CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] de la part

Re: [ccp4bb] determining best of alternative indexes with POINTLESS

2014-01-16 Thread Phil Evans
Indeed that is a bug. I've never tried that combination before. I'll fix it Phil On 16 Jan 2014, at 20:32, wtempel wtem...@gmail.com wrote: Hello, using merged scalepack intensities and a reference MTZ file as inputs, I would like to prepare an MTZ of scalepack intensities reindexed so that

Re: [ccp4bb] Best compounds for heavy atom soaks

2014-01-16 Thread Ho Leung Ng
A favorite resource is Bart Hazes' web page on heavy atom derivatives. http://homepage.usask.ca/~pag266/bart-hazes.html Ho Ho Leung Ng University of Hawaii at Manoa Assistant Professor, Department of Chemistry h...@hawaii.edu

[ccp4bb] Postdoctoral Position at UCSF - Structure of Receptor Tyrosine Kinases

2014-01-16 Thread Jura, Natalia
UNIVERSITY OF CALIFORNIA SAN FRANCISCO (UCSF) POSTDOCTORAL POSITION, JURA LAB Structural studies of receptor tyrosine kinases A postdoctoral position in Receptor Tyrosine Kinase Structural Biology is available immediately for highly motivated individuals with a strong interest in structural