Try http://iterate.sourceforge.net/sauc-1.0.0/
which finds 4Y42 as closest for both cells, but lots of others nearby. On Sun, Jun 18, 2017 at 10:39 AM, James Holton <jmhol...@slac.stanford.edu> wrote: > > By the way. Does anyone out there have a unit cell search engine still > running? The two mentioned on this thread so far: > > ContaMiner: https://strube.cbrc.kaust.edu.sa/contaminer/ > > and SIMBAD: http://ccp4serv7.rc-harwell.ac.uk:8080/testserv/ > seem to both be down. And the other one I know about > nearest-cell: https://app.strubi.ox.ac.uk/nearest-cell/nearest-cell.cgi > > is up, but doesn't seem to be working. Can't find 4y42 using Dong Xiao's > cell below. > > Perhaps the maintainers of these pages could chime in? > > -James Holton > MAD Scientist > > > > On 6/17/2017 10:43 AM, James Holton wrote: > > The reduced (aka "Niggli") cell for your case is 82.8246 88.2997 82.8246 > 98.8892 110.5181 117.0456 > > You can get this using "tracer" or "othercell" in the CCP4 suite. > > I keep a local table of reduced cells from the PDB that I update > periodically, and the closest one to yours in that list is: > > 4y42 82.5 88.0 82.5 99 110 117 cyanate hydratase > This was deposited in P1, but if you download the data and feed it to > Pointless, it is quite confident that the true space group is actually C2. > There are 10 chains in the ASU so there may be some pseudo symmetry going > on. The paper reporting 4y42 describes it as a " serendipitous > crystallization". > > What happens if you try to refine your data against the model deposited as > 4y42? > > Hope that helps, > > -James Holton > MAD Scientist > > On 6/17/2017 12:07 AM, dongxiaofei wrote: > > Dear ALL, > > I got two kinds of crystals of different proteins ,but there are many > similarities. > The shape of the crystals are similar, the cell parameters are also > similar : > protein A , 136.12 94.398 89.476 90 125.479 90 , Space group C > 1 2 1 and > protein B , 136.14 94.369 89.115 90 125.495 90 , Space group C > 1 2 1. > > protein A has a NMR structure ,but Rfree always high above 50% after > molecular replacement , protein B’s Rfree is also above 50% . > > So I am wonder if these crystals are the result of debris of proteins , > because the growth of the crystals needs more than half a year . I am sure > the two proteins are different and crystals respectively come from > different proteins > > Any insights will be really appreciated. > > Thanks > > Dong Xiao > > > > > > > >
