Hi,Dear all Sorry to bother you all, but I'm kinda of stuck here now and I really need some advices.
Briefly overview,my mutation protein is 10kd,with cell size 137.200 137.200 86.682 90.000 90.000 120.000.We are able to find two molecules now and when we look at the map,these two molecules are lined up side by side(like a dimer) but there are some extra densities, which suggest there are at least one more molecules in the ASU.When we refined with these two molecules, we got Rfac around 0.44. So I tried to fixed those two molecules and tried to find the third one, I couldn't find another solution that has better Corr_F and lower Rfac, for example, this one looks reasonable SOLUTIONTF1 1 100.64 25.12 157.50 0.1462 0.0149 0.1086 27.1 53.1 0.0 2 19.2 SOLUTIONTF2 1 118.33 45.70 134.75 0.0678 -0.0589 -0.3417 42.5 47.1 0.0 2 26.1 SOLUTIONTF3 1 94.00 56.95 238.88 0.0331 0.4212 -0.1238 42.1 47.7 45.6 2 22.2 SOLUT_** 1 94.00 56.95 238.88 0.0331 0.4212 0.8762 42.1 47.7 45.6 1 22.2 SOLUT_** 1 94.00 56.95 238.88 0.3662 0.0879 0.5433 42.1 47.7 45.6 2 22.2 SOLUT_** 1 94.00 56.95 238.88 0.6997 0.7545 0.2100 42.0 47.7 45.6 3 22.2 SOLUT_** 1 94.00 56.95 238.88 0.5626 0.3734 0.1015 37.2 49.0 40.2 4 30.6 SOLUT_** 1 94.00 56.95 238.88 0.8582 0.8215 0.0602 37.0 49.2 40.7 5 13.6 SOLUT_** 1 94.00 56.95 238.88 0.1912 0.4885 0.7268 36.9 49.3 40.7 6 13.5 SOLUT_** 1 94.00 56.95 238.88 0.5242 0.1544 0.3931 36.9 49.3 40.7 7 13.5 SOLUT_** 1 94.00 56.95 238.88 0.9879 0.1139 0.5206 36.8 49.6 39.2 8 4.6 SOLUT_** 1 94.00 56.95 238.88 0.3212 0.7803 0.1873 36.8 49.6 39.2 9 4.6 SOLUT_** 1 94.00 56.95 238.88 0.6606 0.2309 0.8202 36.6 49.2 42.4 10 2.7 SOLUT_** 1 94.00 56.95 238.88 0.9942 0.8975 0.4868 36.6 49.2 42.3 11 2.7 SOLUT_** 1 94.00 56.95 238.88 0.3274 0.5645 0.1537 36.6 49.2 42.4 12 2.7 SOLUT_** 1 94.00 56.95 238.88 0.2932 0.7150 0.9706 36.3 49.8 39.7 13 18.2 SOLUT_** 1 94.00 56.95 238.88 0.6866 0.4865 0.2475 36.2 49.8 40.2 14 15.6 SOLUT_** 1 94.00 56.95 238.88 0.0201 0.1533 0.9143 36.2 49.8 40.2 15 15.6 SOLUT_** 1 94.00 56.95 238.88 0.3537 0.8202 0.5810 36.2 49.8 40.3 16 15.6 SOLUT_** 1 94.00 56.95 238.88 0.5849 0.2150 0.8929 35.8 49.9 40.7 17 13.5 SOLUT_** 1 94.00 56.95 238.88 0.9185 0.8820 0.5595 35.7 49.9 40.7 18 13.5 SOLUT_** 1 94.00 56.95 238.88 0.2518 0.5488 0.2261 35.7 49.9 40.7 19 13.4 SOLUT_** 1 94.00 56.95 238.88 0.2313 0.7089 0.9902 35.6 50.0 38.5 20 30.5 Solution 1,2,3 looks reasonably displayed(no overlap between symmetry generated molecules) but when we do refinement, the Rfac goes down to 0.33, but the R-free is still very high 0.46.So my first question is :does this suggest the solution 3 is not the right one? Then we decided to do refinement with the solution 1 and 2 first, and then use the refined solution 1' to find a second solution, say 2'. In this case, 2' should be the same as 2.By doing this,we did find another molecule, but interestingly, when we displayed these molecules (1,2,1',2') in O, there are some collisions.So my second question is:how could this happen?Which set of two molecules are the right one?Is that possible that actually four molecules are all my solutions?Because if we look the translation of 2 and 2',that's 1/3a,1/3b,1/6c, that's a little weird, isn't it? SOLUTIONTF1' 1 99.68 27.46 159.48 0.4816 -0.3171 0.2742 31.8 50.9 0.0 3 19.0 SOLUTIONTF2' 1 117.41 47.24 136.06 -0.2654 0.2735 0.4922 46.7 45.3 47.8 3 26.3 SOLUT_14 1 117.41 47.24 136.06 0.7346 0.2735 0.4922 46.7 45.3 47.8 1 26.3 SOLUT_14 1 117.41 47.24 136.06 0.0680 0.9406 0.1589 46.7 45.3 47.8 2 26.2 SOLUT_14 1 117.41 47.24 136.06 0.4017 0.6077 0.8255 46.6 45.3 47.9 3 26.2 SOLUT_14 1 117.41 47.24 136.06 0.9853 0.9278 0.3259 28.2 52.5 30.7 4 15.7 SOLUT_14 1 117.41 47.24 136.06 0.6528 0.2600 0.6594 28.2 52.6 30.6 5 16.0 SOLUT_14 1 117.41 47.24 136.06 0.3189 0.5917 0.9902 27.6 52.8 30.0 6 16.4 SOLUT_14 1 117.41 47.24 136.06 0.4741 0.7006 0.0653 27.6 52.7 30.5 7 19.3 SOLUT_14 1 117.41 47.24 136.06 0.0128 0.9831 0.5370 27.4 53.1 29.1 8 6.1 SOLUT_14 1 117.41 47.24 136.06 0.6785 0.3154 0.8702 27.3 53.1 29.3 9 6.2 SOLUT_14 1 117.41 47.24 136.06 0.8084 0.3662 0.7311 27.0 52.7 29.8 10 19.4 SOLUT_14 1 117.41 47.24 136.06 0.3475 0.6475 0.2020 26.2 53.6 28.2 11 6.9 Thanks a lot. Jenny
