didn't look properly.
Nat is correct: the data processing is seriously flawed.
Reduce in P1 and see how that look.s
P
2010/3/25 Nathaniel Echols
On Mar 25, 2010, at 10:13 PM, Joseph Brock wrote:
Shell Lower Upper Average Average Norm. Linear Square limit Angstrom I error stat. Chi**2 R-fac R-fac 50.00 4.09 7648.3 1498.7 182.7 1.030 0.376 0.424 All reflections 1588.3 269.2 41.9 1.350 0.400 0.444
Aside from what Peter said: aren't these R-sym values are far too high for the symmetry (or indexing) to be correct? Or is this allowed when twinning is present? If Scalepack is throwing away that much data, this is also telling you that something else is wrong. I'd start back at the indexing step and re-process in P1, then follow the rest of Peter's suggestions starting from step 2.2 (MR). Also, I'd recomment trying labelit.index (included in any Phenix distribution after 1.5) on the raw images, because it may notice something that the conventional indexing programs miss.
As a general rule, you can't always assume that the symmetry will always be the same from crystal to crystal - identical proteins may form completely different crystal lattices depending on crystallization condition or ligand binding or freak chance.
-Nat
-------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]
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