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First Q - how good is your data - is there no possibility of twinning or any other distraction? Second Q - To compare those results properly we need to know how the P2 and the P222 cell align - are the cell dimensions more or less the same? But the 2 plots you attach (and the list above) show both very strong 222 symmetry so the most likely assumption is that the pointgroup is P222. The next peak down the list is only 0.13 for one and 0.17 for the other pointgroup, which only borders on significance.. But this doesnt really prove anything - for example, if there is a flexible linker the 2 domains of each molecule may be in different relative orientations . Do you have any MR search model for the 2 domains? I would search with them and see what they predict - on the whole self rotation functions are most comprehensible AFTER the structure is solved! Eleanor On 18 November 2013 09:58, Monica Mittal <[log in to unmask]> wrote: > Dear CCp4 users, > May anyone help me in interpreting the > self-rotation function from molrep. Data can be indexed,scaled equally > well in P21 and P222. This protein has two domain linked by a long > flexible linker and get cleaved during crystallization. After > crystallizing it in many condition, i believed that i found new > condition where it may be full length. May anyone please suggest me by > looking at the self-rotation function, how many molecule exist in ASU. > Matthews coefficient suggest that there would be 2 copy of full > length protein or four of truncated protein in P21 space group. For > your interpretation, please find attached images of rotation function > around K=180 > Molrep self rotation peaks are > > P21 space group > > theta phi chi P(i)/P(0)| > +------------------------------------------+ > | 1 0.00 0.00 0.00 1.00 | > | 2 90.00 -0.00 180.00 0.79 | > | 3 35.78 -0.00 180.00 0.17 | > | 4 90.00 -170.05 180.00 0.17 | > | 5 58.71 180.00 180.00 0.14 | > | 6 108.34 180.00 180.00 0.14 | > | 7 117.39 180.00 180.00 0.13 | > | 8 90.00 90.00 108.54 0.13 | > | 9 90.00 -90.00 108.54 0.13 | > | 10 144.50 -0.00 180.00 0.13 | > | 11 37.57 25.59 179.98 0.12 | > | 12 148.10 0.00 180.00 0.12 | > | 13 121.73 6.36 179.62 0.11 | > | 14 63.31 -42.27 180.00 0.11 | > | 15 90.00 90.00 162.29 0.11 | > | 16 90.00 -90.00 162.29 0.11 | > | 17 71.12 136.88 180.00 0.10 | > | 18 99.17 -180.00 180.00 0.10 | > | 19 144.80 -161.87 180.00 0.10 | > | 20 90.00 -138.24 180.00 0.10 | > | 21 82.27 -76.45 180.00 0.10 | > | 22 90.00 90.00 115.94 0.10 | > | 23 90.00 -90.00 115.94 0.10 | > | 24 159.16 27.07 180.00 0.10 | > | 25 95.08 -35.92 179.84 0.10 | > | 26 113.86 -139.44 179.54 0.10 | > | 27 90.23 -0.00 89.32 0.10 | > | 28 20.18 -156.63 179.98 0.10 | > | 29 116.90 -40.40 179.50 0.10 | > | 30 63.12 139.60 179.50 0.10 > > > P222 space group > > theta phi chi P(i)/P(0)| > +------------------------------------------+ > | 1 0.00 0.00 0.00 1.00 | > | 2 90.00 -21.41 180.00 0.13 | > | 3 125.32 0.00 180.00 0.13 | > | 4 151.18 -90.00 180.00 0.12 | > | 5 90.00 -180.00 90.00 0.12 | > | 6 141.32 26.82 180.00 0.12 | > | 7 90.00 -42.59 180.00 0.11 | > | 8 127.22 -25.21 180.00 0.11 | > | 9 37.04 -14.48 180.00 0.11 | > | 10 59.17 -129.14 180.00 0.10 | > | 11 56.66 -174.09 180.00 0.09 | > | 12 40.85 144.82 180.00 0.09 | > | 13 54.16 -167.88 180.00 0.09 | > | 14 109.29 -61.09 180.00 0.09 | > | 15 123.12 -84.90 180.00 0.09 | > | 16 64.66 -93.79 180.00 0.09 | > | 17 113.09 108.59 179.89 0.09 | > | 18 93.84 37.37 179.94 0.08 | > | 19 90.00 -33.41 180.00 0.08 | > | 20 131.95 90.00 90.75 0.08 | > | 21 53.78 -144.59 180.00 0.08 | > | 22 49.15 -43.11 180.00 0.08 | > | 23 62.98 -56.60 180.00 0.08 | > | 24 61.97 138.06 179.91 0.08 | > | 25 96.77 59.47 179.90 0.08 | > | 26 118.74 40.91 179.85 0.07 | > | 27 100.14 57.97 179.86 0.07 | > | 28 59.74 -139.98 180.00 0.07 | > | 29 58.97 -141.14 180.00 0.07 | > | 30 103.38 59.92 179.81 0.07 > > Many Thanks in advance for your kind help. > THANK YOU