Table 1. Summary of the data statistics.
Values in parentheses are for the highest resolution shell.
| SeMet derivative | |||||
|---|---|---|---|---|---|
| Native | Peak | Inflection | Remote 1 | Remote 2 | |
| Space group | P6122/P6522 | ||||
| Unit-cell parameters | a = b = 104.1, c = 132.6 | a = b = 104.7, c = 132.3 | |||
| Wavelength (Å) | 1.1765 | 0.97913 | 0.97940 | 0.986 | 0.964 |
| Resolution range (Å) | 53.53–2.85 (3.00–2.85) | 66.08–2.9 (3.06–2.9) | 66.08–3.0 (3.16–3.0) | 66.08–3.0 (3.16–3.0) | 66.08–3.0 (3.16–3.0) |
| Observations | 40463 (5999) | 65286 (9668) | 59007 (8795) | 59073 (8787) | 59348 (8841) |
| Unique reflections | 10448 (1490) | 10022 (1410) | 9095 (1290) | 9087 (1291) | 9086 (1292) |
| Completeness (%) | 99.6 (100) | 99.9 (100) | 99.9 (100) | 99.9 (100) | 99.9 (100) |
| Anomalous completeness (%) | — | 99.5 (99.8) | 99.5 (99.5) | 99.6 (99.5) | 99.6 (99.6) |
| Redundancy | 6.5 (6.9) | 6.5 (6.9) | 6.5 (6.8) | 6.5 (6.8) | 6.5 (6.8) |
| Anomalous redundancy | — | 3.6 (3.6) | 3.6 (3.6) | 3.6 (3.6) | 3.6 (3.6) |
| I/σ(I) | 11.4 (2.7) | 16.3 (5.0) | 17.0 (5.3) | 15.4 (4.7) | 14.6 (3.8) |
| Rmerge (%) | 8.7 (38.4) | 8.0 (35.1) | 8.4 (32.4) | 8.5 (33.1) | 9.1 (44.4) |
| Ranom (%) | — | 4.9 (15.4) | 4.0 (14.1) | 3.8 (14.2) | 4.6 (19.5) |