Table 1.
Data collection and refinement statistics for the open GapR/DNA complex structure and the dimeric GapR structure.
| Open complex | Dimeric GapR | |
|---|---|---|
| Data collection | ||
| PDB code | 6K2J | 6JYK |
| Space Group | P65 | P3121 |
| Cell dimensions | ||
| a, b, c (Å) | 65.3, 65.3, 274.2 | 55.0, 55.0, 111.0 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 48.1–2.40 | 43.8–2.00 |
| R merge (%) | 6.8 (94.4) | 7.3 (54.0) |
| I/σI | 51.2 (2.2) | 37.7 (3.5) |
| Completeness (%) | 99.9 (99.8) | 98.1 (100) |
| Redundancy | 20.3 (18.6) | 5.6 (6.6) |
| Refinement | ||
| Resolution (Å) | 48.1–2.40 | 43.8–2.00 |
| No. reflections | 25730 | 13454 |
| R work/Rfree (%) | 22.1/26.8 | 20.3/21.0 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.004 | 0.009 |
| Bond angles (°) | 0.677 | 0.891 |
| Ramachandran plot statistics (%) | ||
| Most favoured | 98.4 | 100 |
| Additional allowed | 1.6 | 0.0 |
| Generously allowed | 0.0 | 0.0 |
| Disallowed | 0.0 | 0.0 |
Values in parentheses are for the highest resolution shell. Rmerge= ΣhΣi|Ih,i-Ih|/ΣhΣiIh,i, where Ih is the mean intensity of the i observations of symmetry related reflections of h. R = Σ|Fobs – Fcalc|/ΣFobs, where Fcalc is the calculated protein structure factor from the atomic model. Rfree was calculated with 5% of the reflections selected randomly.