I am having problems processing data from multiple wedges of 5-20
degrees each. I am working with data from microcrystals collected at a
minibeam. I want to use the data for molecular replacement. I can usually
only collect about 10-15 frames before the crystal is obviously radiation
damaged. I need to scale and merge the data from multiple crystals. I
typically get poor diffraction, maybe to 4A. I have been able to process the
data with xds/xscale, but the final statistics are worse than I would
expect. For example, I can see fairly strong spots out to 4A, but xds might
say the data only goes to 5A. This might be accurate, but I would like to
also try the data with mosflm and scala. I can usually get mosflm to
autoindex if I give it 3+ frames, but the results are not as robust as with
xds. Usually the residual is poor, > 0.3 mm. When I try scala (tried
multiple options) with just one wedge, it fails with "too few reflections",
"no observations", or "negative scales".
xds says the crystals are fairly isomorphous, < 1%. Symmetry is low,
space group C2.
Does anyone have some advice for processing this kind of data
successfully?
