Re: [ccp4bb] Unknown anomalous scatterer

2019-03-15 Thread Nukri Sanishvili
Hi Aleix, Can you describe how you did the fluorescence scan, or share the plot itself? I am asking this because you say you could discard Fe, Zn and As/Se but you don't say anything about Cu which is in between these elements. If you tried but could not discard Cu, then it could be your "Culprit".

[ccp4bb] Unknown anomalous scatterer

2019-03-15 Thread Aleix Tarrés Solé
Dear colleagues: Hereby, I would like to expose a problem I encountered during the data processing of one of my crystals. Recently I collected a full dataset of a native protein-DNA crystal at an energy of 12667KeV. To my surprise, after processing with XDS I can see that I have significant values

Re: [ccp4bb] Question regarding edstats

2019-03-15 Thread Ian Tickle
Hi John The script runs MTZFIX as a safety check to ensure that the supplied map coefficients are valid (since in some cases they are not), i.e. calculated according to the equations in the literature, as shown here: ftp://ftp.ccp4.ac.uk/ccp4/6.4.0/ccp4-6.4.0/src/edstats/mtzfix.html So it calcul

[ccp4bb] Question regarding edstats

2019-03-15 Thread JP Bacik
Dear CCP4bb crystallographers, in regards to the CCP4 program EDSTATS using a Phenix refinement output file, I tried running the file through MTZFIX and it gives the error: ERROR: Labels not found - maybe non-standard labels used? So I tried changing all the column labels to the equivalent in R

[ccp4bb] PhD opportunity - Drug Discovery Newcastle University

2019-03-15 Thread Mathew Martin
Dear All,   May I draw your attention to an opportunitythat we have for a talented student to join our drug-discovery team here at theNorthern Institute for Cancer Research. The position is a fully-funded PhDstudentship from the EPSRC Centre for Doctoral Training in Molecular Sciencesfor Me

[ccp4bb] new version of XDS package for academic users

2019-03-15 Thread Kay Diederichs
Dear all, just a short announcement that the new version of XDS package for academic users is available from http://xds.mpimf-heidelberg.mpg.de/ . This version expires on 31-Mar-2020. The only change is in handling of compressed images - if a library is supplied with LIB= in XDS.INP, that library

Re: [ccp4bb] help with TNCS + MR

2019-03-15 Thread Almudena Ponce Salvatierra
Dear Randy, thank you very much, I had a look at it and it seems that fortunately it was one of the "straighforward" cases. Best, Almudena El jue., 14 mar. 2019 a las 14:48, Randy Read () escribió: > Dear Almu, > > We have a discussion on the Phaser Wiki about some of the possibilities > for t