Re: [ccp4bb] indexing/data reduction

2013-03-14 Thread Eleanor Dodson
I would keep the hexagonal lattice, assuming your integration was OK - no missed spots and then index the data as P1. If the anom Pattersons should then show the correct symmetry - if the Patterson shows P6/mmm symmetry you should be safe in either assigning P6122 or P6522 to the structure SG.

[ccp4bb] indexing/data reduction

2013-03-14 Thread wtempel
Dear colleagues, we have collected 200 degrees worth of oscillation data on a selenomethionine derivative (1 "non-terminal" methionyl per 120 residues) to 2A resolution. XDS provides the following output: LATTICE- BRAVAIS- QUALITY UNIT CELL CONSTANTS (ANGSTROEM & DEGREES) CHARACTER LATTICE