Table 1.
Data collection and refinement statistics.
| 5’-C-Tg-G | 5’-A-Tg-G | 5’-T-Tg-G-bin | 5’-T-Tg-G-ter | |
|---|---|---|---|---|
| PDB ID | 3RMB | 3RMA | 3RMC | 3RMD |
| Data collection | ||||
| Space group | P21 | P21 | P21 | P21 |
| Cell dimensions | ||||
| a, b, c (Å) | 133.53, 123.44, 164.29 | 132.70, 123.00, 163.94 | 133.99, 123.77, 163.64 | 132.84, 123.02, 168.77 |
| β (°) | 96.84 | 96.07 | 96.57 | 95.87 |
| Resolution (Å) | 50-2.65 (2.74-2.65)a | 50-2.84 (2.94-2.84)a | 50-3.0 (3.11-3.0)a | 50-2.98 (3.09-2.98)a |
| Rmerge | 7.6 (45.8)a | 17.0 (76.4)a, b | 8.5 (69.5)a | 9.2 (40.9)a |
| R Friedel (I) | 7.2 (55.9)a | 8.4 (64.0)a, b | 7.7 (75.3)a | 7.7 (46.8)a |
| I / αI | 15.5 (2.2)a | 10.7 (2.0)a | 12.0 (2.3)a | 15.7 (2.3)a |
| Completeness (%) | 98.4 (87.9)a | 99.8 (98.5)a | 99.9 (99.9)a | 98.1 (82.5)a |
| Redundancy | 3.9 (2.6)a | 7.9 (6.3)a | 4.2 (4.0)a | 4.6 (3.1)a |
| Refinement | ||||
| Resolution (Å) | 50-2.65 | 50-2.84 | 50-3.0 | 50-2.98 |
| No. reflections | 595569 (154468)c | 991917 (125453)c | 454618 (107108)c | 501756 (111177)c |
| Rwork / Rfree (%) | 22.42 / 27.63 | 21.79 / 27.35 | 22.16 / 28.20 | 21.99 / 27.54 |
| No. atoms | 32166 | 31450 | 31561 | 31873 |
| Protein | 29065 | 28890 | 28935 | 29076 |
| DNA | 2596 | 2236 | 2505 | 2549 |
| Water | 505 | 324 | 121 | 188 |
| Average B-factors (Å2) | ||||
| Protein (A, B, C, D) | 63.5, 66.5, 50.7, 96.7 | 52.9, 84.0, 58.4, 114.4 | 73.4, 93.6, 71.0, 128.1 | 60.5, 61.4, 61.6, 76.6 |
| DNA (A, B, C, D) | 105.4, 66.5, 51.2, 127.9 | 95.6, 109.9, 64.6, 101.9 | 117.8, 117.3, 66.3, 155.5 | 114.9, 84.0, 66.8, 110.4 |
| Water | 43.5 | 41.7 | 47.2 | 32.4 |
| R.m.s deviations | ||||
| Bond lengths (Å) | 0.0071 | 0.0071 | 0.0079 | 0.0082 |
| Bond angles (°) | 1.217 | 1.227 | 1.307 | 1.278 |
a
Highest resolution shell is shown in parentheses.
b
Two isomorphous data sets were merged.
c
Number of all reflections. Number of unique reflections is in parentheses.