TABLE 1.
Data collection and refinement statistics of the Ape10b2-DNA (16 bp) complex
The r.m.s.d. in bond angles and bond lengths varied from 1.2° to 1.6° and from 0.006 to 0.008 Å, respectively. Solvent content was ∼55%.
| Data collection | |
| Wavelength | 1.0000 |
| Space group | P212121 |
| Cell dimensions (Å) | a = 33.55, b = 74.29, c = 88.19 |
| No. of molecules/asymmetric unit | 2 |
| Resolution range (Å) | 40–2.00 (2.07–2.0)a |
| Unique reflections | 15.617 |
| Redundancy | 14.1 (14.3) |
| Completeness (%) | 99.9 (100) |
| Rmerge (%)b | 0.069 (0.470) |
| Refinement statistics | |
| Resolution range (Å) | 20–2.0 |
| Reflections used in refinement | 15,507 |
| Total no. of reflections used for working set | 14,401 |
| R-factor (%)c | 0.244 |
| Total no. of reflections used for Rfree | 1106 |
| Rfree (%)d | 0.282 |
| No. of protein atoms | 1548 |
| No. of nucleic acid atoms | 199 |
| No. of water molecules | 183 |
| No. of PO4 ions | 1 |
| Average B-factor (Å2) | |
| Protein molecules | 41.2 |
| Nucleic acids | 57.4 |
| Waters | 52.5 |
| Overall | 43 |
| Ramachandran statistics | |
| Most favored regions (%) | 87.1 |
| Allowed regions (%) | 12.9 |
| Protein Data Bank code | 3U6Y |
a Values in parentheses are for the highest resolution shell.
b Rmerge = ΣhΣi|I(h,i) − 〈I(h)〉|/ΣhΣiI(h,i), where I(h,i) is the intensity value of the ith measurement of h, and 〈I(h)〉 is the corresponding mean value of I(h) for all i measurements.
c R-factor = Σ‖Fo| − |Fc‖/|Fo|, where |Fo| and |Fc| are the observed and calculated structure factor amplitudes, respectively.
d Rfree is the same as the R-factor but for a 5–7% subset of all reflections.