: Sonntag, 15. Dezember 2013 23:29
An: CCP4BB@JISCMAIL.AC.UK
Betreff: Re: [ccp4bb] Wrong Space Group?
Its possible you are in a lower space group, perhaps with some twinning, but
your search model is different enough to only find a solution when things are
over-merged.
Try refining your P6522 model
Its possible you are in a lower space group, perhaps with some twinning, but your search
model is different enough to only find a solution when things are over-merged.
Try refining your P6522 model against data merged in P65. If the other copy (symmetry mate in
P6522) does not show up, you may
On Fri, 13 Dec 2013 19:44:44 +, D Bonsor dbon...@ihv.umaryland.edu wrote:
Dear D,
I agree with Tim and Jürgen that
a) the map after Phaser, and before refinement is the most unbiased and should
be used for sequence assignment.
b) there may be a sequence register shift error that is
Dear all,
I have collected ~160 degrees of data on a new crystal form of a protein which
has already been solved. Data was processed with XDS and reindex, scaled and
truncated with Aimless. Both XDS and Pointless suggested a Laue group of
P6/mmm with a possible space group of P6122 or P6522.
2.8 is not a terrible resolution to try out Buccaneer or Parrot. Your terrible
R-factor might be due to a shift in residues perhaps ? Your After-building map
does not show much of a side chain density to judge if you are in frame or off.
But the elongated helix is in my eyes convincing enough.
If that solution applies to the original model you used (and not to re-solving
the structure with the molecular replacement solution before or after
refinement), then your tetramer model is just being rotated by 90 degrees
around the 4-fold and placed on a different origin, i.e. the solution is
Hi, Dear CCP4 group,
I recently collect one dataset and indexed as P4 space group. When I try to do
MR with a tetramer as input, I found the solution file suggested P41.
SOLU SET RFZ=5.2 TFZ=10.3 PAK=0 LLG=239 LLG=366 TFZ==20.9
SOLU SPAC P 41
SOLU 6DIM ENSE ensemble1 EULER 50.265 0.217
Hello,
What about the enantiomorphic space groups (the 4(3) screw axes instead
of the 4(1) screw axes) ? These cannot be distinguised on the basis of
structure factor amplitudes (unless you have an anomalous scatterer) nor
on the basis of the specific extinctions (both screw axes extinguish
