Thank you! Yes, the PDB file defines the SG as P212121. When I load pdb
file from phaser (P222 mtz file as data and the solution is in P212121)
into Phenix.refine, Phenix.refine automatically assumes that the space
group is P212121.
I am not sure in this case why using P222 mtz and P212121 mtz to d
As always, look at the unit cell packing of your alternative solutions.
In all likelihood one of these two solutions from Phaser should pack
sensibly in the unit cell, and the other will not. You may get some sort
of quasi-reasonable-looking electron density out of the wrong solution
initially,
Point 1) You don't need to reindex the data to change SG from P222 to
P212121. Indexing and integration use the lattice type , and scaling the
point group - not the space group. The only difference between the 2 space
groups is that the odd axial reflections will be assent in P212121.
Point 2) Tha
Hi all,
I am working with a protein-ligand complex structure. The data was indexed
with XDS and mtz file is generated using Phenix---Reflection
tools---Reflection file editor. The space group used was P222. Then, I used
the Phenix---Molecular replacement to find a solution (try all possible in
same