Dear Yang Li,
On Feb 21, 2008, at 8:23, yang li wrote:
Dear All,
I have a 3A structure, the quality of the data is not very good.
I will stick a bit on your opening statement.
Having 3.0 A data is sometimes a fact of life - most unfortunately.
Sometimes, you simply cant do better with the crystals.
However, there is less excuse having bad data at 3.0 A.
In fact, i think, the best way to get away with 3.0 data in
refinement is to put a lot
of effort getting the best possible dataset out of your 3.0 A
crystals. 100% complete,
as redundant as possible, nice Rmerge, what you can.
If I look at the rest of your email now, I would think (based on how
much "not very good" your data is)
that either
1. You need a lot of manual rebuilding (was that molrep or madsad ?)
2. You need better quality data
From the Rfree going back up I would be quite worried.
As Pavel said though, his nice phenix.refine line (can we put it on
the wiki Pavel ?) is worth a shot first ;-)
A.
