Re: [ccp4bb] Experimental phasing with 50% twin

2011-05-15 Thread Martin Hällberg
Dear Phil, Is the twin fraction varying? Can you correlate the variation of twin fraction with variations in crystal morphology or handling? With constant perfect twinning you could try MIR using the phase determination method of Yates & Rees (Acta Cryst. (1987). A43, 30-36). I can't access the

Re: [ccp4bb] Experimental phasing with 50% twin

2011-05-14 Thread Kay Diederichs
Dear Phil, I wouldn't be very optimistic about this. I recently tried to solve a 50:50 twin structure with simulated data (prepared with the help of a program and data by James Holton), and failed. When I reduced the twinning fraction at some point the structure solution worked out well (as e

[ccp4bb] Experimental phasing with 50% twin

2011-05-13 Thread Phil Evans
We're trying to solve a 50% twin crystal by experimental phasing (SAD & SIRAS) since molecular replacement hasn't worked. The crystals diffract very well in apparent space group P62 2 2. A Hg derivative shows a strong apparent anomalous signal (from half-dataset correlations etc), but we've fail