[phenixbb] coot links on Mac -> Possible MR solution

Vellieux Frederic Frederic.Vellieux at ibs.fr
Mon Aug 2 02:40:04 PDT 2010


Usually the data integration software lets you have several 
possibilities concerning the space group (at the level of the 
determination of the Bravais lattice, and later for the analysis of the 
specific extinctions). It worthwhile checking out all possibilities.

I recently had a case where the auto-indexing provided the following:
mC 0.1
oC 2.5
hP 4.1

P1 removed from the list.

I did check everything out, and it turned out that the space group was 
P6(1). High Rsym values can be due to improper space group assignment. 
Sometimes space group specific extinctions are not that clear (or the 
data simply have not been recorded or cannot be processed, for example 
when the axis is parallel to the rotation axis).


> hello
> fred ya i got the solution with phaser with proper packing .
> Space group P 6122
> TFZ- 18.0
> RFZ -7.8
> PAK -1
> LLG -282.453
> density is clear and most of bulky residues are in side the density too .
> but while running the refinement R factor is not going down. i am 
> trying to do fitting of the structure .
> vandana kukshal

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