Dear Yuan. 1. Is there any programs that could help to compare and check the heavy atom positions in shelxd solutions? Especially in cases when the solutions are not obvious. SitCOM seemed very good, is there a 32-bit distribution of this programs? Or any others have similar functions? If you use shelxd to search the heavy atom, you can get the value of "CC All/Weak" in shelxd.log. "CC All" should be larger than 35 if you want to solve the structure by SAD.
2. How to reduce the model bias and phase errors in my situations? any suggestions? Try TLS refinement in refmac or phenix.refine after model building. 3. Should I collect a MAD data instead of SAD data? How much would that could help? I don't think the MAD data will be better than SAD data. Maybe you can try to collect data with small oscillation angle (e.g.0.5deg) 。 If you need more help, please send me the log file outputted by HKL2000. Best regards & Many thanks! Yuan Wei
