Dear Community, I have some doubts to clarify. In a way to solve a structure by Phaser-MR, I found phaser ended up with a potentially good MR solution (with good statistics, packing and electron density, and as we know the homolog structure so in a reasonable biological assembly also). However, the space group where phaser found the potential solution (P22121) is different what we got in pointless (P212121), and phaser also indicated the presence of translational NCS (NCS translation vector = 0.500, 0.494 0.391). Now when we try to refine the structure with its original scala.mtz file (which is indexed and sclaled in P212121) and phaser generated pdb file, the R/Rfree is very high (around 0.5) but when I tried refining with mtz file generated by phaser, it was reasonable, at least for first cycle of refinement (R/Rfree, 0.41/0.46). Now my question is, can I use the phaser generated mtz file instead of the original scala.mtz for further refinement? Or I have to reindex my original data into phaser suggested spacegroup and run the MR again? Translational NCS are generally associated with high R values, is there any way to get rid of that problem?
Best regards, Sudipta.
