Content:
See also the PDB summary.
From a very simple autoPROC run of this Se-MET crystal, we have data for 2 wavelengths (infl and hrem). We also have the sequence (181 residues, 4 Met - 3 of which are N-terminal around a His-tag):
MAHHHHHHMMKEETLNSDNSSAEVSVESPSFSFNCAHFIAYNGFRETLHGHNYNVSLKVRGYVRDDGYVIDFSILKEKVK KVCNKLDHHFILPIYSDVLKFENVKNNIKIICEDNSEYSFPERDCIKLPIKHSSTEEIGQYILNQLIEEMDVSLLKSRHI HYIEISVSESPTQKAIVHKYI
We start autoSHARP through the default (httpd-based) interface and define the following for a 2-wavelength MAD experiment:
After 2 1/4 hours we have
10 chains with 439 residues : 5 docked in sequence (333 residues) [R/Rfree=0.2218/0.298]
Files:
We could also try a new tool we're developing (combining density modification using PARROT and model building using BUCCANEER, both programs by K. Cowtan):
% ljs -mtz eden_flat_55.5pc.mtz -fast -seq ../../datafiles/1Y13.pir
which after 10 minutes gives us 492 residues with 479 docked into the sequence (we expect 543 residues, the PDB entry contains 498 residues):
Files: