Re: [ccp4bb] Third CCP4 workshop in USA, at APS, June 10-17

2010-03-17 Thread Sanishvili, Ruslan
This is just a reminder that the deadline for applications for the CCP4 school: From data collection to structure refinement and beyond, is April 9. A full program and the list of speakers is now available. These and other details (application process, accommodations, site access, contacts etc)

[ccp4bb] imosflm plot question?

2010-03-17 Thread hari jayaram
Hello , I had a question about the imosflm plots during data integration. I am attaching the plot for one of my datasets ...Just curious what the middle plot is plotting Thanks a lot for your help Hari <>

[ccp4bb] Soaking to Remove Bound Ligands from Crystals

2010-03-17 Thread Artem Evdokimov
It's called cross-soaking and it is a fairly popular technique especially in the industrial community where we sometimes have to work with hundreds of ligands. I've done it on several occasions and mostly have been pretty happy with the results. Having said this I also would like to point out that

Re: [ccp4bb] phenix target weight refinement

2010-03-17 Thread Nian Huang
Hi, Salameh, As Pavel said, you might have a ligand with incorrect cif file. A quick fix is to run phenix.elbow on that cif file, which worked for me. I will try the new version of phenix and to see if it can fix the problem. Hopefully you already solved the problem. Nian Huang, Ph.D. UT Southwes

Re: [ccp4bb] Soaking to Remove Bound Ligands from Crystals

2010-03-17 Thread Kontopidis George
Pentapeptide ligand removed from the binding site of the protein crystal and replaced with different peptide ligand Insights into Cyclin Groove Recognition: Complex Crystal Structures and Inhibitor Design through Ligand Exchange, Kontopidis, G., et. al. 2003,Structure 11 (12), pp. 1537-1546 George

[ccp4bb] Soaking to Remove Bound Ligands from Crystals

2010-03-17 Thread Critton, David
Dear ccp4bb, I recently came across a thread from 2007 discussing the removal of ions/ligands from protein crystals (https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind0705&L=CCP4BB&P=R35929). The thread cited a couple of papers (Ray et al. 1991; Schreuder et al. 1988) in which crystals were g

[ccp4bb] Scientific software development posts at Diamond

2010-03-17 Thread Alun Ashton
Currently Diamond have two open vacancies for software development Software Scientist: We are looking for an individual to implement, support and enhance software for Data Acquisition applicable to all Diamond Beamlines but mainly to those for Macromolecular Crystallography (MX). For more informat

[ccp4bb] Off-topic: Axygen Biosciences

2010-03-17 Thread Sogabe_Satoshi
Dear all, I have recognized that Axygen discontinues the crystallization products including Initial Screening Reagents in January as announced from the web page. Does anyone know more information about their products? Because of unique conditions, these were very helpful to us as well as

Re: [ccp4bb] Equation for combining measurements

2010-03-17 Thread Graeme Winter
Hi Jacob, Perhaps this contains what you are after: Acta Cryst. (2006). D62, 72–82 Evans Scaling and assessment of data quality Appendix A4, averaged intensities. I_h = (sum_l w_hl I_hl) / (sum_l w_hl) sI^2_h = 1 / sum_l w_hl (that's sigma I squared *1) where w_hl = 1 / sI^2_hl Best wishes,