Indexing

Qilu Ye ye at crystal.biochem.queensu.ca
Mon Jul 6 07:51:35 EST 1998


Hi, everyone:
  I have a problem for indexing my new crystal. (1) I did autoindex and
got autoindex list as follow:


 Lattice          Metric tensor    Best cell (symmetrized)
               distortion index    Best cell (without symmetry
restrains)

 primitive cubic         39.19%       82.19  81.94 117.94  89.44  90.28
58.85
                                                      95.53  95.53
95.53  90.00  90.00  90.00

 I centred cubic         30.28%       140.71 142.95 117.94  34.97
89.35  88.74
                                                      134.34 134.34
134.34  90.00  90.00  90.00

 F centred cubic         36.43%      181.98 144.08 143.42  69.74 120.93
122.10
                                                       157.53 157.53
157.53   90.00  90.00  90.00

 primitive rhombohedral  15.26% 144.08 142.95 141.87  33.54  58.95
32.63
                                                       142.97 142.97
142.97  43.07  43.07  43.07
                                                       114.68 114.68
388.48  90.00  90.00 120.00

 primitive hexagonal      0.59%     81.94  82.19 117.94  90.28  90.56
121.15
                                                       82.06  82.06
117.94  90.00  90.00 120.00

 primitive tetragonal    11.95%     80.64  81.94 117.94  89.44  90.85
119.27
                                                       81.29  81.29
117.94  90.00  90.00   90.00

 I centred tetragonal     7.48%     82.19  81.94 248.14  98.61  81.04
58.85
                                                      82.06  82.06
248.14  90.00  90.00  90.00

 primitive orthorhombic  11.93%  80.64  81.94 117.94  89.44  90.85
119.27
                                                       80.64  81.94
117.94  90.00  90.00  90.00

 C centred orthorhombic   0.38%  80.64 142.95 117.94  89.84  90.85
89.80
                                                        80.64 142.95
117.94  90.00  90.00  90.00

 I centred orthorhombic   7.48%  81.94  82.19 248.14  81.04  81.39
121.15
                                                       81.94  82.19
248.14  90.00  90.00  90.00

 F centred orthorhombic   7.03%  80.64 142.95 248.14  89.78  71.89
89.80
                                                       80.64 142.95
248.14  90.00  90.00  90.00

 primitive monoclinic     0.57%     80.64 117.94  82.19  90.28 119.58
89.15
                                                       80.64 117.94
82.19  90.00 119.58  90.00

 C centred monoclinic     0.15%   80.64 142.95 117.94  89.84  90.85
89.80
                                                       80.64 142.95
117.94  90.00  90.85  90.00

 primitive triclinic          0.00%     80.64  81.94 117.94  89.44
89.15  60.73

 autoindex unit cell  80.97  80.97 117.93  90.00  90.00 120.00

 crystal rotx, roty, rotz -29.145 116.663 -29.798

  Autoindex Xbeam, Ybeam  150.83  149.49           Volume of the
primitive cell  679649.

(2) I tried Denzo for all autoindexing  symmetry less then 1%. Almost
all of these R factor are
more than 20%, except  using  primitive triclinic R factor is 3.5%.
(3)The crystal morphology looks hexagonal shape and size is 0.5x0.5x0.4
mm.

(4)The protein molecular weight is 35 KD.

If someone has some ideas and some suggestions I could try, it would be
very appreciated.




Thanks a lot.
Qilu Ye





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