[phenixbb] refinement of twinning dataset
Ms Chiung-Wen Chang
chiungwen.chang at uqconnect.edu.au
Tue Jun 14 14:54:58 PDT 2011
hi everyone
i have some issues with the refinement of my twinning dataset
the dataset has 2.1 A resolution
the twin fraction is around 0.43
i did not detwin and ran the refinement directly (with twinning refinement)
The attached is the polygon
so far the R: 0.1905 Rfree: 0.21
RMSD angles: 0.91 bonds: 0.006
clashscore: 28.176
average B: 45.8
are the clashscore and Average B in the reasonable range ? because the pattern of the polygon is looked wired
what can I do more to get them better ?
thanks for your help : )
Mary
-------------- next part --------------
A non-text attachment was scrubbed...
Name: polygon.png
Type: image/png
Size: 38376 bytes
Desc: polygon.png
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20110614/17f0b153/attachment-0001.png>
More information about the phenixbb
mailing list