Re: [ccp4bb] Cysteine-S-Iodine interaction

I’m late to the party here, but there are (at least) 59 instances of a C-S-I fragment in the CCDC. Flipping through the first third of the list, GIGBED (triphenylmethyl-iodo-sulfane) seems somewhat close. The S-I bond is 2.41Å and the C-S-I bond angle is 105.4 degrees. There may be better ones

Re: [ccp4bb] Anomalous maps from twinned crystal

Hmm - not sure if this would work but it is worth a try. Refine your model against twinned data to get PhiCalc Go to Reflection Data Tools Calculate unusual map coeffs Give reflection file with I+ and I- from data processing ( They are twinned Is but maybe this will work) Phases from your best

Re: [ccp4bb] Anomalous maps from twinned crystal

Dear Petr, a map needs amplitudes and phases. In the case of the usual maps (2Fobs-Fcalc and Fobs-Fcalc) calculated for twinned data, one can either detwin the amplitudes, or take twinning into account in the Fcalc term. When calculating the anomalous map, I believe that detwinning of

[ccp4bb] EMBO workshop on Molecular Neurobiology deadline April 5th

Dear colleagues, I would like to bring your attention to a workshop that will take place from May 23rd-27th 2022 near Heraklion in Crete Greece that brings together structural biologists, microscopists and neurobiologists interested in mechanisms