Table 1. Data statistics for the SeMet derivative.
Values in parentheses are for the highest resolution shell.
| Peak | Edge | Remote | |
|---|---|---|---|
| Space group | P21212 | ||
| Unit-cell parameters (Å) | a = 97.11, b = 135.92, c = 46.03 | ||
| No. of chains in the asymmetric unit | 2 | ||
| V M (Å3 Da−1) | 2.24 | ||
| Solvent content (%) | 45.19 | ||
| Wavelength (Å) | 0.97947 | 0.97954 | 0.97179 |
| Resolution (Å) | 50–2.08 (2.12–2.08) | 50–2.12 (2.15–2.12) | 50–2.23 (2.28–2.23) |
| Unique reflections | 37136 (1420) | 36224 (1843) | 30700 (1889) |
| Completeness (%) | 98.5 (76.8) | 99.9 (100) | 99.7 (100) |
| R merge † (%) | 8.5 (63.3) | 7.7 (82.1) | 7.4 (76.4) |
| Multiplicity | 7.1 (6.2) | 7.2 (6.9) | 7.2 (7.3) |
| 〈I/σ(I)〉 | 13.7 | 12.4 | 10.8 |
†
R
merge = 
, where 〈I(hkl)〉 is the average intensity of the ith observations.