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mad rule of thumb
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macromolecular crystallography: crystallography home x-ray scattering information x-ray wavelength/energy conversion mad rule of thumb |
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A reasonable rule of thumb to see if a MAD experiment is feasible is if the average isomorphous and anomalous scattering differences are 2.5 - 3.
Dano = 1 / sqrt(2) sqrt (Na/Np) 2f"/fp Diso = 1 / sqrt(2) sqrt (Na/Np) Df'/fp
Na = Number of anomalous scatterers
Np = Number of protein atoms
F" = f" of anomalous scatterer
Df' = f' difference between low/high energy remote wavelengths
fp = average scattering factor of protein atoms (6.7)
The f'' signals at the following wavelengths:
Cu Ka SSRL 7-1
1.54 1.08
Protactinium Pa 14.046 7.716
Uranium U 14.020 8.809
Gadolinium Gd 13.242 8.646
Thorium Th 13.167 7.495
Samarium Sm 13.158 7.612
Actinium Ac 12.385 6.939
Radium Ra 12.002 6.773
Promethium Pm 11.936 6.753
Europium Eu 11.585 7.673
Francium Fr 11.490 6.527
Neodymium Nd 11.347 6.469
Radon Rn 11.007 6.257
Praseodymium Pr 10.563 6.008
Astatine At 10.399 5.859
Cerium Ce 10.080 5.686
Dysprosium Dy 9.923 8.885
Lanthanum La 9.767 5.443
Polonium Po 9.701 5.496
Bismuth Bi 9.298 5.317
Terbium Tb 9.202 8.391
Barium Ba 9.025 5.022
Lead Pb 8.934 5.083
Thallium Tl 8.445 4.814
Cesium Cs 8.239 4.566
Mercury Hg 8.062 4.608
Xenon Xe 7.717 4.258
Gold Au 7.717 4.358
Platinum Pt 7.236 4.046
Iodine I 6.933 3.810
Iridium Ir 6.806 9.908
Tellurium Te 6.762 3.701
Osmium Os 6.428 9.908
Rhenium Re 6.082 8.684
Tungsten W 5.769 8.249
Antimony Sb 5.664 3.100
Tin Sn 5.519 3.001
Tantalum Ta 5.475 11.148
Hafnium Hf 5.278 12.626
Lutetium Lu 5.026 11.932
Indium In 4.956 2.701
Cadmium Cd 4.727 2.571
Ytterbium Yb 4.716 11.402
Thulium Tm 4.435 10.742
Silver Ag 4.264 2.307
Erbium Er 4.099 10.022
Holmium Ho 4.008 9.965
Palladium Pd 3.984 2.143
Rhodium Rh 3.638 1.971
Cobalt Co 3.562 2.028
Ruthenium Ru 3.263 1.760
Iron Fe 3.208 1.801
Technicium Tc 2.990 1.616
Manganese Mn 2.832 1.569
Molybdenum Mo 2.749 1.481
Niobium Nb 2.505 1.346
Chromium Cr 2.439 1.332
Zirconium Zr 2.279 1.229
Vandium V 2.193 1.185
Yttrium Y 2.108 1.099
Titanium Ti 1.868 0.997
Strontium Sr 1.845 0.994
Scandium Sc 1.610 0.852
Rubidium Rb 1.599 0.858
Krypton Kr 1.427 0.766
The f'' signals at the following wavelengths:
Cu Ka SSRL 7-1
1.54 1.08
Hafnium Hf 5.278 12.626
Lutetium Lu 5.026 11.932
Ytterbium Yb 4.716 11.402
Tantalum Ta 5.475 11.148
Thulium Tm 4.435 10.742
Erbium Er 4.099 10.022
Holmium Ho 4.008 9.965
Iridium Ir 6.806 9.908
Osmium Os 6.428 9.908
Dysprosium Dy 9.923 8.885
Uranium U 14.020 8.809
Rhenium Re 6.082 8.684
Gadolinium Gd 13.242 8.646
Terbium Tb 9.202 8.391
Tungsten W 5.769 8.249
Protactinium Pa 14.046 7.716
Europium Eu 11.585 7.673
Samarium Sm 13.158 7.612
Thorium Th 13.167 7.495
Actinium Ac 12.385 6.939
Radium Ra 12.002 6.773
Promethium Pm 11.936 6.753
Francium Fr 11.490 6.527
Neodymium Nd 11.347 6.469
Radon Rn 11.007 6.257
Praseodymium Pr 10.563 6.008
Astatine At 10.399 5.859
Cerium Ce 10.080 5.686
Polonium Po 9.701 5.496
Lanthanum La 9.767 5.443
Bismuth Bi 9.298 5.317
Lead Pb 8.934 5.083
Barium Ba 9.025 5.022
Thallium Tl 8.445 4.814
Mercury Hg 8.062 4.608
Cesium Cs 8.239 4.566
Gold Au 7.717 4.358
Xenon Xe 7.717 4.258
Platinum Pt 7.236 4.046
Iodine I 6.933 3.810
Germanium Ge 0.919 3.717
Tellurium Te 6.762 3.701
Gallium Ga 0.802 3.315
Antimony Sb 5.664 3.100
Tin Sn 5.519 3.001
Zinc Zn 0.703 2.990
Indium In 4.956 2.701
Copper Cu 0.608 2.648
Cadmium Cd 4.727 2.571
Nickel Ni 0.524 2.337
Silver Ag 4.264 2.307
Palladium Pd 3.984 2.143
Cobalt Co 3.562 2.028
Rhodium Rh 3.638 1.971
Iron Fe 3.208 1.801
Ruthenium Ru 3.263 1.760
Technicium Tc 2.990 1.616
Manganese Mn 2.832 1.569
Molybdenum Mo 2.749 1.481
Niobium Nb 2.505 1.346
Chromium Cr 2.439 1.332
Zirconium Zr 2.279 1.229
Vandium V 2.193 1.185
Yttrium Y 2.108 1.099