Table 2.
Summary of data collection and refinement statistic for the WT dCK 5-Me-dC+ADP complex
| Data Collection statistics | |
| X-ray source | Rotating anode |
| Wavelength (Å) | 1.54 (Cu anode) |
| Temperature (K) | 100 |
| Resolution Range (Å) | 1.96–30.0 |
| Reflections | |
| Observed | 210295 |
| Unique | 39888 |
| Completeness (%)a | 99.0 (95.5) |
| Rsym(%) | 4.6 (35.7) |
| I/σ(I) | 23.0 (4.1) |
| Space group | C2221 |
| Unit cell (Å) | |
| a | 52.74 |
| b | 132.95 |
| c | 156.89 |
| Molecules per a.u. | 2 |
| Refinement statistics | |
| Rcryst (%) | 19.34 |
| Rfree (%) | 23.90 |
| Number of atoms | |
| Protein | 3862 |
| Nucleoside | 34 |
| ADP | 54 |
| Water | 257 |
| R.m.s. deviation | |
| Bond length (Å) | 0.013 |
| Bond angles (°) | 1.501 |
| Average B-factors (Å2) | |
| Overall Chain A | 29.38 |
| Main chain A | 28.72 |
| Side chain A | 30.01 |
| Overall Chain B | 26.32 |
| Main chain B | 25.66 |
| Side chain B | 26.97 |
| ADP | 20.90 |
| Nucleoside | 20.90 |
| Waters | 34.22 |
| Ramachandran plot (residues in): | |
| most favored region (%) | 92.3 |
| additionally allowed regions (%) | 6.6 |
| generously allowed regions (%) | 0.7 |
| disallowed regions (%) | 0.4 |
a
values for the highest resolution shell is in parenthesis