Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread Navdeep Sidhu
PS: For a microscopically visible example in proteins, see the lovely cubic insulin interpenetrating non-merohedral twin crystallized by Madhumati Sevvana (Fig. 11a; thankfully open-access article): Madhumati Sevvana, Michael Ruf, Isabel Uson, George M. Sheldrick and Regine Herbst-Irmer.

[ccp4bb] Modifications to support for SHEET and ligand SITE records in June 2021

2021-03-17 Thread John Berrisford
Dear CCP4BB In 2014, PDBx/mmCIF became the PDB's archive format and the the legacy PDB file format was frozen. In addition to PDBx/mmCIF files for all entries, wwPDB produces PDB format-formatted files for entries that can be

[ccp4bb] Enhanced Validation of Small-Molecule Ligands and Carbohydrates

2021-03-17 Thread Jasmine Young
A new article in /Structure/ describes new features, including branched representations and 2D SNFG images for carbohydrates, identification of ligands of interest, 3D views of electron density fit, and 2D images of small molecule geometry. These

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread Navdeep Sidhu
Far as I understand, twins may or may not have macroscopically recognizable features. Macroscopic (and microscopic) features like face angles, reaction on etching, polarization of light, etc. can sometimes indicate twinning for at least a subset of cases, e.g. in diamond, some forms of quartz,

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread DUMAS Philippe (IGBMC)
It seems to me that it is legitimate to refer to what you describe as "twinning". That's the difference between merohedral and non-merohedral twinning. What you describe is non-merohedral twinning. In fact twinning has been (re)discovered by most of the biological community after the

[ccp4bb] Postdoctoral position at ICTER in Warsaw, Poland

2021-03-17 Thread Humberto Fernandes
Dear all This is a final reminder for this post. The closing date is 21st March. In the Integrated Structural Biology laboratory at The International Center for Translational Eye Research (ICTER) in Warsaw, Poland, one postdoctoral position is available for a highly motivated

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread Eleanor Dodson
Yes Ana, I agree although some non-merihedrals where the accident of cell dimensions mean many spots can overlap but not quite exactly can seem a bit smeary and "multiple. Meridral twins do not usually look multiple - they are usually only revealed by the 2nd moment and other stats.. Eleanor On

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread Ana Luísa Moreira de Carvalho
Just a short note on this: I often see colleagues using the word “twinning" when referring to a crystal that is actually multiple (not single). I think much confusion arises from this. For me, a twin crystal is the one that looks single under the microscope and only intensity statistics reveal