Recommended SnB Parameters: High Resolution Data
Recommended SnB Parameters: High Resolution Data
- Given n nonH “protein” atoms
- Phases: 10n
- Triplets: 100n if significant high res. data avail. 500n if sig. data terminates at ~1.1-1.5Ĺ
- Cycles: n/2 if n<400 & “heavy” atoms present n otherwise
- Peaks Recycled: 0.4n if “heavy” atoms present 0.8n otherwise
- Phase Refinement: Unrestricted Parameter Shift