Table 1.
Data collection and refinement statistics
| Structure | Apo-mTREX2 | mTREX2-Y-shaped DNA complex | mTREX2–duplex DNA complex | mTREX2–product complex |
|---|---|---|---|---|
| DNA in the structure | None |
|
|
dCMP |
| Metal ions in one active site | None | 2 Mg2+ | 2 Mg2+ | 2 Mg2+ |
| Data collection | ||||
| Space group | P21 | C2 | P212121 | P21 |
| Cell dimensions | ||||
| a, b, c (Å) | 44.29, 54.73, 88.16 | 145.66, 48.40, 90.59 | 48.72, 87.32, 432.94 | 43.81, 54.77, 88.72 |
| α, β, γ (°) | 90.0, 100.7, 90.0 | 90.6, 90.0, 97.4 | 90.0, 90.0, 90.0 | 90.0, 100.8, 90.0 |
| Resolution (Å) | 30.0-1.9 (1.97–1.9) | 30.0-1.9 (1.97–1.9) | 30.0-2.7 (2.8–2.7) | 30.0-2.0 (2.07–2.0) |
| R sym or Rmerge | 6.7 (38.3) | 4.3 (45.3) | 6.7 (48.6) | 5.2 (47.4) |
| I / σI | 18.9 (1.8) | 33.3 (2.8) | 24.2 (2.0) | 22.4 (1.9) |
| Completeness (%) | 99.2 (97.3) | 99.8 (99.6) | 97.1 (97.1) | 99.1 (98.1) |
| Redundancy | 3.8 (3.0) | 3.9 (3.5) | 3.5 (3.1) | 3.1 (2.6) |
| Refinement | ||||
| Resolution (Å) | 26.4-1.9 | 28.5-1.9 | 29.2-2.7 | 28.9-2.0 |
| No. reflections | 32319 | 49670 | 50754 | 27789 |
| R work / Rfree | 18.6/21.8 | 16.1/19.3 | 21.6/26.0 | 19.6/22.9 |
| R.m.s. deviations | ||||
| Bond lengths (Å) | 0.006 | 0.008 | 0.003 | 0.003 |
| Bond angles (°) | 0.977 | 1.118 | 0.676 | 0.752 |
| Ramachandran blot statistics (%) | ||||
| Favored region | 98.1 | 99.07 | 96.67 | 97.65 |
| Allowed region | 1.9 | 0.93 | 3.25 | 2.35 |
| Outlier region | 0 | 0 | 0.08 | 0 |
aEach structures was obtained from a single crystal.
bValues in the parentheses are for highest-resolution shell.