Table 2.
X-ray data collection and refinement table
| HINa | HINb | HINab:16 mer dsDNA | |
|---|---|---|---|
| Data set | TJ113–7 | TJ72–4 | JT4–12 |
| Data collection | |||
| Spacegroup | C2221 | P3121 | P6522 |
| Unit cell (a, b, c) (Å) | 57.93, 104.21, 90.42 | 99.72, 99.72, 107.05 | 101.39, 101.39, 783.61 |
| (α,β,γ) (°) | 90, 90, 90 | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 50–1.58 (1.68–1.58) | 50–2.00 (2.12–2.00) | 50–4.50 (4.67–4.50) |
| No of reflections (total/unique) | 287 766/37 551 | 447 016/41 767 | 195 843/15 339 |
| Redundancy | 7.66 (7.00) | 10.70 (10.85) | 12.80 (13.40) |
| Completeness (%) | 99.3 (97.7) | 99.6 (99.4) | 91.78 (82.36) |
| I/σ(I) | 20.45 (2.93) | 18.35 (2.31) | 11.80 (0.85) |
| Rmeas (%)a | 5.8 (71.0) | 7.4 (136.6) | 9.9 (320.1) |
| CC1/2 (%) | 99.9 (89.9) | 99.9 (84.1) | 99.9 (52.8) |
| Refinement | |||
| Resolution (Å) | 44.18–1.58 | 33.6–2.00 | 47.26–4.50 |
| No. of protein atoms | 1544 | 3096 | 9312 |
| No. of DNA atoms | 0 | 0 | 1312 |
| No. of solvent | 194 | 134 | 0 |
| No. of hetero-atoms | 16 | 0 | 0 |
| Wilson B-factor (Å2) | 22.5 | 44.1 | 112.1 |
| Average B-factor (Å2) (protein) | 30.97 | 65.44 | 162.29 |
| Average B-factor (DNA) (Å2) | 0 | 0 | 207.40 |
| RMSD bond lengths (Å) | 0.006 | 0.005 | 0.004 |
| RMSD bond angles (°) | 0.843 | 0.844 | 0.708 |
| R work (%)b | 18.36 | 20.45 | 25.97 |
| R free (%)c | 21.05 | 25.44 | 29.71 |
| Ramachandran plot favored/disallowed (%)d | 99.5/0 | 96.4/0 | 98.22/1.78 |
| PDB code | 5YZP | 5YZW | 5Z7D |
Values in the parentheses correspond to the last resolution shell.
a R meas = Σh(n/n – 1)1/2Σi|Ii(h) – <I(h)>|/ΣhΣiIi(h), where Ii(h) and <I(h)> are the ith and mean measurement of the intensity of reflection h.
b R work = Σh||Fobs(h)| – |Fcalc(h)||/Σh|Fobs(h)|, where Fobs(h) and Fcalc(h) are the observed and calculated structure factors, respectively. No I/σ cutoff was applied.
c R free is the R-value obtained for a test set of reflections consisting of a randomly selected 5% subset of the data set excluded from refinement.
dValues from Molprobity server (http://molprobity.biochem.duke.edu/).