[phenixbb] Same enzyme, different space groups ?

Yuri yuri.pompeu at ufl.edu
Mon Mar 28 15:23:05 PDT 2011


Hello everyone,
I was comparing 2 data sets I have and when I run Xtriage I noticed 
the following:
a) for one crystal (data processed in P 4 2 2)

| space group | n absent | <Z>_absent | <Z/sigZ>_absent | +++ | ---  | 
score       |
------------------------------------------------------------------------------------
| P 41 21 2   | 24       |     0.03   |     1.30        |  0  |  2   | 
0.000e+00  |
| P 43 21 2   | 24       |     0.03   |     1.30        |  0  |  2   | 
0.000e+00  |
| P 42 21 2   | 22       |     0.03   |     1.27        |  0  |  4   | 
7.187e-02  |
| P 4 21 2    | 18       |     0.01   |     1.21        |  0  |  8   | 
3.035e-01  |
| P 41 2 2    | 6        |     0.11   |     1.59        |  0  |  20  | 
9.065e-01  |
| P 43 2 2    | 6        |     0.11   |     1.59        |  0  |  20  | 
9.065e-01  |
| P 42 2 2    | 4        |     0.13   |     1.57        |  0  |  22  | 
9.784e-01  |
| P 4 2 2     | 0        |     0.00   |     0.00        |  0  |  26  | 
1.210e+00  |
------------------------------------------------------------------------------------

b) the other crystal, of the same enzyme (data scaled in P 43 21 2) x 
triage tells me this crystal is in P 43 21 2.

| space group | n absent | <Z>_absent | <Z/sigZ>_absent | +++ | --- | 
score       |
-----------------------------------------------------------------------------------
| P 4 2 2     | 0        |     0.00   |     0.00        |  0  |  2  |  
0.000e+00  |
| P 4 21 2    | 0        |     0.00   |     0.00        |  0  |  2  |  
0.000e+00  |
| P 41 2 2    | 0        |     0.00   |     0.00        |  0  |  2  |  
0.000e+00  |
| P 41 21 2   | 0        |     0.00   |     0.00        |  0  |  2  |  
0.000e+00  |
| P 42 2 2    | 0        |     0.00   |     0.00        |  0  |  2  |  
0.000e+00  |
| P 42 21 2   | 0        |     0.00   |     0.00        |  0  |  2  |  
0.000e+00  |
| P 43 2 2    | 0        |     0.00   |     0.00        |  0  |  2  |  
0.000e+00  |
| P 43 21 2   | 0        |     0.00   |     0.00        |  0  |  2  |  
0.000e+00  |
-----------------------------------------------------------------------------------

My understanding is that P 43 21 2 should have 0 systematic absences 
(if I am wrong, please point it out)

My questions are:
 what is really my space group? Or should I say space groups, if 
indeed I have two different space groups.
How do I nterpret the scores?
Could it all be a function of the space group they were processed in?



--
Yuri Pompeu




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