Similar result. Taking all defaults except #atoms, amt protein:
kDa #res #sites BjvtRatio
protein of interest:
LBL: 469 12 0.0153 (4 e-)
Ruppweb 4273 12 0.016 (edge + 1 ev)
Ruppweb 4273 12 0.013 (CuKa)
Hemoglobin protomer
LBL 32 2 0.0239 (4 e-)
Ruppweb 291 2 0.024 (edge + 1 ev)
Ruppweb 291 2 0.020 (CuKa)
James Holton wrote:
I put together a little jiffy for feasibility of MAD experiments here:
http://bl831.als.lbl.gov/xtalsize.html
It does not calculate the f" value for you, but in general f" is ~4
electrons for K edges and ~10 electrons for L edges. Crossec can give
you more accurate values than this as long as you are "far away" from
the absorption edge (10-100 eV), but if you are right on top of the
"white line", then you have to measure f" anyway using an absorption
scan. That said, it is very rare for the white line to be more than
double the edge jump and Fe is not particularly spectacular for white
lines, so I wouldn't expect much more than ~6 electrons from iron.
-James Holton
MAD Scientist
On 6/2/2013 8:47 AM, Edward A. Berry wrote:
Is Ethan Merritt's anomalous scattering page at:
http://www.bmsc.washington.edu/scatter/
down or moved, or the firewall I'm behind is blocking it?
I want to check feasibility of a native-iron MAD experiment,
and I'm not very good at math.
thanks,
eab
