Re: [ccp4bb] Large Conformational Change Upon Binding Ligand...
Hi Jacob, This is a paper on a large conformational change upon PLP binding. http://www.ncbi.nlm.nih.gov/pubmed/22143761
[ccp4bb] Collecting small-molecule diffraction on a Macromolecular xtallography beam line
Hello, I have some interesting small molecule xtals. I was wondering if it is possible to collect a small molecule data-set using a sincrotron macromolecular xtallography beam line, maybe with a very low beam intensity and moving the detector as close as possible? Has anybody experienced that? And if I get the images back home, can I process them using standard macromolecular software or do I need ab-initio special programs? Will MR work for phasing? Thanks in advance, Giorgio
Re: [ccp4bb] Collecting small-molecule diffraction on a Macromolecular xtallography beam line
You have been all wonderfully helpful. The landscape is crystal-clear now. Thanks to everybody. Giorgio
[ccp4bb] pseudo-centering or twinning problem in P3
Hello everybody, I think I have a pseudo-centering problem. I have a 1.6 ang. dataset of a mutant protein that is an homodimer in solution. Data processing gives the following SG: Space group: P 31 2 1 Average unit cell: 111.36 111.36 28.56 90.00 90.00 120.00 Average mosaicity: 0.24 Rmerge Overall 0.07 However with this SG the unit Cell is too small and monomer doesn't fit the in the AU. I reprocessed the data in other possible SG (including P6) and finally I got 2 equivalent SG's in which I can get a correct Molecular Replacement solution: Space group: I 1 2 1 Average unit cell: 57.07 111.11 192.90 90.00 90.07 90.00 and Space group: C 1 2 1 Average unit cell: 201.10 111.11 57.07 90.00 106.42 90.00 Both with Average mosaicity: 0.38 and Rmerge Overall 0.06, but the corresponding MR solutions do not refine, with R-factor stuck to 45-47%. From what I understand, in the I121 SG I have the NC two-fold axis of the dimer at 1/2a and this originates the pseudo centering and the small P3 Cell Largest Patterson peak with length larger than 15 Angstrom: Frac. coord. :0.5000.0000.000 Distance to origin: 28.566 Height relative to origin : 53.830 % I'm really not so good with symmetry, so I'll be grateful for any suggestion/help/solution from you out there. Many thanks, Giorgio
[ccp4bb] 3rd Joint AIC-SILS Conference - 25-28 June 2018 Rome
Dear All, We are pleased to announce that in 2018, from June 25 to June 28, the third joint conference of the Italian Crystallographic Association (AIC) and of the Italian Synchrotron Radiation Society (SILS) will be held in Rome. The program selected by the Scientific Committee will encourage the participation and contacts between members of the two associations involved, enabling ideas exchange in scientific fields concerning the study of condensed matter properties, such as Crystal Growth, Nanoscience, Methods and Techniques for the determination of Atomic, Electronic and Vibrational Structures, Molecular Recognition, Polymer and Materials Science, Molecular Medicine and Structural Biology. More information available at the following links: http://www.cristallografia.org/congresso2018/ http://www.cristallografia.org/uploaded/4230.pdf