Table 1.
Crystallographic data collection and refinement statistics.
| Dcp1–scPNRC2Dcp2 (PDB 5KQ1) |
Dcp1–scPNRC2Dcp2 with two-headed cap bound (PDB 5KQ4) | |
|---|---|---|
| Data collection | ||
| Space group | P21 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 45.62, 118.73, 93.17 | 43.07, 120.75, 91.85 |
| α, β, γ (°) | 90.00, 102.77, 90.00 | 90.00, 97.90, 90.00 |
| Resolution (Å) | 50.0 – 3.00 (3.05 – 3.00)a |
50.0 – 2.55 (2.61 – 2.55) |
| Rmerge | 0.106 (0.745) | 0.115 (0.940) |
| I/σI | 24.2 (1.90) | 25.6 (1.74) |
| CC1/2 | 94.3 (79.6) | 87.9 (62.6) |
| Completeness (%) | 99.0 (91.9) | 100.0 (99.9) |
| Redundancy | 3.7 (3.4) | 4.0 (3.9) |
| Refinement | ||
| Resolution (Å) | 44.9 – 3.00 | 45.5 – 2.56 |
| No. reflections | 19,125 | 29,862 |
| Rwork/Rfree | 0.2101/0.2474 | 0.2065/0.2510 |
| No. atoms | ||
| Protein | 6274 | 6347 |
| Ligand | – | 114b |
| Water | – | 27 |
| B-factors | ||
| Protein | 128 | 83 |
| Ligand | – | 117b |
| Water | – | 64 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.003 | 0.003 |
| Bond angles (°) | 0.616 | 0.655 |
Each data set was collected from a single crystal.
a
Values in parentheses are for highest-resolution shell.
b
Two molecules of two-headed cap analog.