Table 2. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| E2tr N298Q | |||||
|---|---|---|---|---|---|
| Native E2 | High resolution | Peak | Inflection | Remote | |
| Beamline | I24 | I02 | I03 | I03 | I03 |
| Space group | P21212 | C2 | C2 | C2 | C2 |
| Unit-cell parameters (Å, °) | a = 160.7, b = 49.7, c = 136.4 | a = 132.2, b = 47.6, c = 159.3, β = 108.2 | a = 133.2, b = 47.8, c = 154.7, β = 110.8 | a = 133.2, b = 47.8, c = 154.7, β = 110.8 | a = 133.2, b = 47.8, c = 154.7, β = 110.8 |
| Wavelength (Å) | 1.0341 | 0.9796 | 0.9794 | 0.9796 | 0.9686 |
| Resolution (Å) | 50–3.3 | 50–2.6 | 50–3.1 | 50–3.4 | 50–3.3 |
| No. of unique reflections | 17239 (1659) | 29885 (2320) | 16339 (1075) | 13221 (545) | 14284 (348) |
| No. of observed reflections | 83948 | 148705 | 131000 | 42235 | 45314 |
| Completeness (%) | 99.9 (99.8) | 97.0 (76.1) | 96.2 (63.3) | 99.9 (100) | 99.9 (100) |
| Multiplicity | 4.9 (4.8) | 5 (4.5) | 8 (2.7) | 3.2 (1.9) | 3.2 (1.9) |
| 〈I/σ(I)〉 | 6.6 (1.5) | 15.1 (1.7) | 17.9 (2.1) | 12.1 (2.0) | 12.4 (2.1) |
| R merge † (%) | 24.2 (92.2) | 11.0 (100) | 12.1 (27.6) | 11.3 (24.7) | 11.6 (23.3) |
†
R
merge = 
, where I
i(hkl) is the ith measurement and 〈I(hkl)〉 is the weighted average of all measured reflections.