Table 1 X-ray data collection and refinement statistics.
Correct G insertion opposite AraC ternary complex | Misinsertion of A opposite AraC ternary complex | |
|---|---|---|
Data collection | ||
Space group | P61 | P61 |
Cell dimensions: | ||
a, b, c (Å) | 98.2 98.2 81.3 | 99.0 99.0 81.8 |
α, β, γ (°) | 90.0, 90.0, 120.0 | 90.0, 90.0, 120.0 |
Resolution range (Å)a | 45.0–2.40 (2.44-2.40) | 85.7-2.09 (2.09-2.15) |
Rmerge (%) | 11.0 (88.4) | 13.3 (17.8) |
I/σI | 29.9 (4.0) | 11.6 (1.0) |
Completeness (%) | 100.0 (100) | 100 (100) |
Redundancy | 19.1 (19.5) | 6.8 (6.9) |
CC1/2 (%) | 100.0(87.6) | 99.7 (34.8) |
Refinement | ||
Resolution range (Å) | 42.5-2.40 | 59.2-2.09 |
No. reflections | 17,623 | 27,040 |
Rwork/Rfree | 17.4/21.6 | 19.6/23.8 |
No. atoms | ||
Protein | 3,332 | 3,374 |
DNA | 346 | 388 |
Ligand (dNMPNPP) | 31 | 30 |
Ligand (other) | 6 | 12 |
Ion (Mg2+) | 2 | 2 |
Water | 123 | 214 |
B-factors | ||
Protein | 37.3 | 45.4 |
DNA | 42.5 | 46.8 |
Ligand (dNMPNPP) | 37.9 | 39.7 |
Ligand (other) | 28.3 | 41.2 |
Ion (Mg2+) | 37.2 | 39.6 |
Water | 33.3 | 44.4 |
R.m.s. deviations | ||
Bond length (Å) | 0.011 | 0.011 |
Bond angles (°) | 0.83 | 0.69 |
