Table 1.
Summary of data collection and refinement statistics of the R.PabI(Y68F-K154A)-dsDNA complexes
| dsDNA (GTAC-3 bp-GTAC) | dsDNA (GTAC-5 bp-GTAC) | dsDNA (nonspecific) | |
|---|---|---|---|
| Data collection | |||
| Space group | P3221 | P3221 | P3221 |
| Cell dimensions | |||
| a, b, c (Å) | 83.68, 83.68, 140.35 | 82.43, 82.43, 140.35 | 84.15, 84.15, 140.53 |
| Resolution (Å) | 41.84–2.45 (2.55–2.45) | 46.78–2.20 (2.27–2.20) | 46.84–2.75 (2.90–2.75) |
| R sym (%) | 4.2 (65.3) | 6.8 (78.5) | 5.3 (61.4) |
| Mean (I/σI) | 16.0 (1.9) | 14.4 (1.7) | 11.8 (1.4) |
| Completeness (%) | 97.7 (86.8) | 100 (99.9) | 99.0 (99.0) |
| Redundancy | 4.7 (4.5) | 10.1 (6.7) | 4.3 (4.3) |
| CC (1/2) | 0.999 (0.866) | 0.999 (0.832) | 0.999 (0.857) |
| Refinement | |||
| R/Rfree (%) | 22.88/25.57 | 21.66/25.72 | 28.33/30.65 |
| No. atoms | |||
| R.PabI-chain A | 1766 | 1766 | 1735 |
| R.PabI-chain B | 1717 | 1728 | 1361 |
| DNA | 469 | 407 | 246 |
| B-factors (Å2) | |||
| R.PabI-chain A | 73.02 | 73.15 | 102.06 |
| R.PabI-chain B | 92.66 | 85.38 | 130.62 |
| DNA | 100.54 | 109.03 | 170.98 |
| R.m.s deviations | |||
| Bond lengths (Å) | 0.003 | 0.004 | 0.004 |
| Bond angles (°) | 0.602 | 0.623 | 0.658 |
| Ramachandran plot | |||
| Favoured region (%) | 97.2 | 96.9 | 96.2 |
| Allowed region (%) | 99.8 | 100 | 100 |
The numbers in parentheses represent data for the highest-resolution shells.