Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| AdoP–SO4 | AdoP–Ado–SO4 | AdoP–Ino–SO4 | D204N–Ado–SO4 | D204N–Ino–SO4 | |
|---|---|---|---|---|---|
| Beamline | 24-ID-C | 23-BM | 24-ID-C | 24-ID-C | 8-BM |
| Wavelength (Å) | 0.97580 | 0.99997 | 0.97946 | 0.97946 | 0.97949 |
| Space group | P6322 | P6322 | P6322 | P6322 | P6322 |
| Unit-cell parameters (Å) | |||||
| a = b | 122.0 | 121.0 | 122.8 | 122.2 | 122.7 |
| c | 68.0 | 67.1 | 68.1 | 68.2 | 68.0 |
| Resolution range (Å) | 50.0–1.4 (1.45–1.40) | 50.0–1.2 (1.24–1.20) | 50.0–1.2 (1.24–1.20) | 50.0–1.4 (1.45–1.40) | 20.0–1.4 (1.45–1.40) |
| Total No. of reflections | 301266 | 1160800 | 295688 | 415665 | 485298 |
| No. of unique reflections | 58855 (5791) | 88363 (7949) | 88185 (7217) | 58861 (5806) | 59410 (5858) |
| Multiplicity | 5.1 (5.0) | 13.1 (5.4) | 3.4 (2.0) | 7.1 (7.1) | 8.2 (8.0) |
| Completeness (%) | 99.8 (100) | 97.9 (89.3) | 93.5 (77.8) | 99.2 (100) | 99.7 (100) |
| Rmerge† (%) | 5.3 (47.0) | 5.2 (54.6) | 6.0 (35.7) | 5.6 (43.0) | 7.7 (52.6) |
| 〈I/σ(I)〉 | 28.6 (3.0) | 46.4 (2.3) | 17.2 (2.2) | 33.9 (5.8) | 37.0 (4.8) |
†
R
merge = 
, where 〈I(hkl)〉 is the mean intensity of the i reflections with intensities I
i(hkl) and common indices hkl.