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. Author manuscript; available in PMC: 2010 Sep 2.
Published in final edited form as: J Am Chem Soc. 2009 Sep 2;131(34):12265–12272. doi: 10.1021/ja903409j

Figure 2.

Figure 2

First two SVD components of time-resolved photolysis difference spectra (red and blue, respectively) (a-g) scaled spectral basis vectors U1 and 20 × U2S2/S1 and (h-n) scaled temporal basis vectors V1/V1,1 and 25 × V2S2/(V1,1S1) (o) (where V1,1 ≡ V1(t1)) for the MbCO mutants: (a,h) wild type, (b,i) L29F, (c,j) L29F/H64L, (d,k) L29W, (e,l) L29F/V68L, (f,m) V68L, and (g,n) H64L/V68N. The scalings applied to the U1, U2, V1, and V2 components observed for the MbCO variants were chosen to facilitate size comparisons of their distal pocket water signals, which to a good approximation were represented by the second basis vectors, U2 and V2. (U2 is highlighted in bold for each species.) The singular value scaling described above for the orthonormal Vi vectors (with V2 further scaled by a factor of 25 for clarity) permits an approximate indication of the relative water signal sizes from the peak to trough amplitudes of the scaled V2 components shown in panels h-n. The solid lines in panels h-n show fits to the Vi data points calculated from the hydration kinetic model of ref. 14 with the parameter values (e.g., nw) shown in Table 2.