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. 2008 Nov 17;47(50):13404–13417. doi: 10.1021/bi801732m

Table 1. Data Collection Statistics for AdoMetDC Mutants and Complexesa.

  D174N (−Put) E256Q (−Put) E178Q (−Put) D174N (−Put)/MeAdoMet E256Q (−Put)/MeAdoMet E178Q (−Put)/MeAdoMet AdoMetDC (−Put) E178Q (+Put) E256Q (+Put)
wavelength 0.9764 0.9764 0.9766 0.9795 0.9795 0.9795 1.5418 0.9792 0.9792
space group (Å) C2 C2 C2 C2 C2 C2 C2 C2 C2
a (Å) 90.60 90.71 90.57 99.22 94.44 100.15 90.57 91.60 92.35
b (Å) 55.24 55.90 56.26 50.60 50.08 51.07 55.54 54.49 53.54
c (Å) 74.22 74.33 74.05 68.82 70.17 68.95 74.31 74.58 74.71
β (°) 109.64 109.84 109.73 104.95 105.00 105.40 109.66 109.45 109.09
resolution (Å) 1.84 1.88 1.98 1.70 2.00 1.97 2.35 2.10 1.75
total reflections 88255 71106 53478 122776 54248 73956 41261 69216 123289
unique reflections 27642 27282 21433 35113 18180 23589 14524 19713 34072
redundancy 3.2(2.8) 2.6(2.3) 2.5(2.2) 3.5(2.5) 2.9(2.7) 3.1(2.5) 2.8(2.6) 3.5(2.8) 3.6(3.0)
% completeness 92.1(73.8) 96.7(87.0) 89.8(89.4) 96.3(78.0) 84.0(72.6) 98.6(91.1) 99.1(95.7) 96.8(79.8) 97.7(89.6)
I 15.9(2.2) 16.0(2.0) 14.4(2.0) 15.4(2.2) 9.9(3.3) 15.0(3.4) 13.9(2.0) 34.4(6.2) 30.1(4.6)
Rsymb 6.4(39.0) 4.9(39.6) 7.1(43.8) 8.3(32.8) 10.7(25.6) 8.0(23.8) 9.1(46.8) 3.7(12.2) 4.2(15.8)
Matthewʼs coef. (Å3/Da) 2.28 2.31 2.32 2.18 2.09 2.22 2.30 2.29 2.28
solvent content (%) 45.1 45.9 45.9 42.5 40.1 43.5 45.5 45.3 45.0
a

The values in parenthesis are for the highest resolution shell.

b

Rsym>=ΣΣi|Ii − ⟨I⟩|/Σ⟨I⟩, where ⟨I⟩ is the mean intensity of the N reflections with intensities Ii and common indices h,k,l.