Table 4.
Dataset | Native | SeMet |
---|---|---|
Data collection | ||
Space group | P212121 | P212121 |
Cell dimension | ||
a, b, c (Å) | 74.71, 100.7, 128.9 | 74.67, 97.49, 128.8 |
α, β, γ (°) | 90°, 90°, 90° | 90°, 90°, 90° |
Resolution (Å) | 50‐ 2.16 (2.25‐ 2.16) | 50‐ 2.5 (2.54‐ 2.5) |
Redundancy | 6.5 (3.5) | 8.7 (8.3) |
Rmerge | 9.5 (81.5) | 11.7 (61.3) |
CC (1/2) (%) | 78.7 | 90.4 |
<I/σI> | 19.7 (2.24) | 22.09 (3.59) |
Completeness (%) | 99.5 (96.2) | 96.2 (97.1) |
Refinement | ||
Resolution (Å) | 39.71‐2.16 | |
No. of reflections | 52058 | |
Rwork/Rfree | 0.1981/0.2315 | |
No. of atoms | 14,660 | |
Protein | 14,159 | |
Water | 472 | |
Zn | 2 | |
ACT | 7 | |
TRS | 20 | |
B factors | 46.0 | |
Protein | 32.1 | |
Water | 36.8 | |
RMSD | ||
Bond lengths (Å) | 0.005 | |
Bond angles (°) | 0.711 |