*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
Dear all,
After integrating and scaling a dataset using Denzo and Scalepack, I
obtained the following results:
Shell Lower Upper Average Average Norm. Linear Square
limit Angstrom I error stat. Chi**2 R-fac R-fac
50.00 5.60 524.2 11.4 6.8 1.080 0.045 0.041
5.60 4.45 319.3 13.0 7.5 1.108 0.091 0.103
4.45 3.88 301.0 17.8 8.7 0.989 0.114 0.123
3.88 3.53 187.9 12.7 9.1 1.027 0.141 0.148
3.53 3.28 103.2 9.2 8.6 1.068 0.201 0.193
3.28 3.08 66.7 8.6 8.5 1.054 0.304 0.299
3.08 2.93 44.6 8.6 8.6 1.010 0.480 0.472
2.93 2.80 32.8 8.6 8.6 1.009 0.648 0.645
2.80 2.69 25.3 8.5 8.5 0.982 0.844 0.689
2.69 2.60 16.6 8.3 8.2 0.957 0.000 0.990
All reflections 168.1 10.7 8.3 1.030 0.129 0.083
The I/sigma is 2 at the resolution 2.6 A, but the Rmerge for the high
resolution shells is very high, actually higher than 1 for the last
shell! My question is: should I keep all the data, or should I cut them
around 3.1 A in order to have a resonable Rmerge even for the last shell?
I should say that the data appear to be twinned (based on the tests of
truncate, the Yeates twinning server, and Dataman with the
Yeates-Padilla method) with a twinning fraction around 0.46. The
apparent space group is P6222, but I obtained a good MR solution in P3121.
If I can I will refine the structure with Shelxl, but therefore it is
important to have at least medium resolution data.
Thank you in advance,
Michele Lunelli
Department of Cellular Microbiology
Max Planck Institute for Infection Biology
Campus Charité Mitte
Charitéplatz 1
D-10117 Berlin
Chiacchiera con i tuoi amici in tempo reale!
http://it.yahoo.com/mail_it/foot/*http://it.messenger.yahoo.com
