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/σ | 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 |
The values in parenthesis are for the highest resolution shell.
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.