Table 1.
Data collection and refinement statistics
| Vta1-NTD | Vta1-CTD | |||||
|---|---|---|---|---|---|---|
| Data collection | ||||||
| Native | SeMet | Native | SeMet | |||
| Wavelength | 0.9787 Å | 0.9787 Å | 0.9793 Å | 0.9794Å | 0.9566Å | |
| Space group | I4 | I4 | P21212 | P21212 | ||
| Unit cell (Å) | a=b=126.169 Å, c=70.252 Å | a=b=126.623 Å, c=69.046 Å | a=102.420 Å b=50.707 c=74.353 Å |
a=102.429 Å, b=50.695, c=74.317 Å | ||
| Resolution (Å) | 2.9 | 3.0 | 1.5 | 1.8 | 1.8 | 1.8 |
| Completeness (%) | 99.5 (96.7) | 95.2 (73.0) | 94.2 (91.3) | 99.9 (100.0) | 99.9 (100.0) | 99.7 (100.0) |
| I / σ | 37.6 (3.3) | 34.5 (2.4) | 23.7 (5.2) | 38.8 (9.9) | 39.6 (11.0) | 41.2 (11.6) |
| Rmerge (%) | 6.2 (41.8) | 8.1 (48.7) | 6.2 (20.2) | 6.5 (21.2) | 5.8 (19.4) | 5.4 (17.9) |
| Redundancy | 7.4 | 9.7 | 4.0 | 8.1 | 8.1 | 8.2 |
| Unique reflections | 12,169 | 10,527 | 59,057 | 36,525 | 36,514 | 36,570 |
| Refinement | ||||||
| Rwork/ Rfree | 21.5/26.0 (CNS) | 22.0/24.9 (REFMAC) | ||||
| Rmsd, bonds (Å) | 0.009 | 0.014 | ||||
| Rmsd, angles (°) | 1.108 | 1.240 | ||||
| Mean B (Å2) | 81.8 | 19.8 (residue B after TLS refinement) | ||||
| Ramachandran | 92.5% core 7.5% allow | 96.7% core 3.3% allow | ||||