Table 1. Statistics of data processing.
Numbers in parentheses represent values in the highest resolution.
| Crystals | E177Q ligand-free | E177Q–X6 | N44H ligand-free | N44H–X3 | rWT ligand-free | N44D ligand-free | E86Q ligand-free |
|---|---|---|---|---|---|---|---|
| Space group | P212121 | P21221 | P212121 | P212121 | P212121 | P212121 | |
| Unit-cell dimensions (Å, °) | a = 48.2, b = 59.2, c = 69.7 | a = 38.5, b = 45.5, c = 111.4 | a = 48.3, b = 59.0, c = 69.7 | a = 42.4, b = 59.6, c = 62.1 | a = 47.8, b = 59.7, c = 69.7 | a = 48.3, b = 59.6, c = 69.9 | a = 48.5, b = 59.3, c = 69.9 |
| α = β = γ = 90 | α = β = γ = 90 | α = β = γ = 90 | α = β = γ = 90 | α = β = γ = 90 | α = β = γ = 90 | α = β = γ = 90 | |
| Molecules per asymmetric unit | 1 | 1 | 1 | 1 | 1 | 1 | 1 |
| Wavelength (Å) | 1.5417 | 0.9793 | 0.9793 | 0.9793 | 1.54 | 0.9793 | 0.9793 |
| Resolution (Å) | 1.5 | 1.15 | 1.10 | 1.55 | 1.65 | 1.07 | 1.07 |
| Unique reflections | 32599 | 63877 | 81313 | 23195 | 24538 | 88792 | 86222 |
| Redundancy | 3.7 (3.4) | 6.5 (6.9) | 4.3(3.7) | 3.8 (3.6) | 4.0 (3.8) | 3.8 (3.2) | 5.1 (3.2) |
| Completeness (%) | 99.6 (97.5) | 90.8 (84.2) | 99.8 (98.6) | 98.5(99.7) | 99.4 (98.8) | 99.4 (98.3) | 96.1(96.6) |
| R sym † | 0.069 (0.408) | 0.070 (0.622) | 0.051(0.629) | 0.099(0.521) | 0.093 (0.651) | 0.051 (0.260) | 0.127(0.398) |
| 〈I/σ(I)〉 | 15.2 (2.8) | 27.6 (3.4) | 26.7(1.9) | 13.8(2.7) | 19.2 (2.1) | 19.6 (4.2) | 12.4(2.4) |
| Mosaicity (°) | 0.57 | 0.47 | 0.44 | 0.72 | 1.87 | 0.12 | 1.30 |
†
R
sym = 
, where Ii is the measured intensities and 〈I〉 is the mean intensity of all measured observations equivalent to reflection Ii.