TABLE 2.
Refinement statistics
| Statistic | Result for statistic |
|---|---|
| Rwork | |
| Overall | 21.2 |
| Last shell (limits) | 32.7 (2.97-2.89) |
| Rfree | |
| Overall | 26.2 |
| Last shell (limits) | 38.5 (2.97-2.89) |
| σ cutoff | None |
| Nonhydrogen atoms | |
| Protein | 23,399 |
| Ion | 6 |
| Avg B factors (Å2) | |
| Main chain | 29.1a |
| Side chains | 31.7a |
| Ion | 21.3 |
| Wilson | 63.6 |
| RMSD | |
| Bond lengths (Å) | 0.10 |
| Bond angles (°) | 1.17 |
| Ramachandran plot: no. of residues (%) | |
| Most favored | 2,324 (87.1) |
| Additionally allowed | 323 (12.1) |
| Generously allowed | 15 (0.6) |
| Disallowed | 6 (0.2) |
a
Average B factors are residual values after calculation of total least-squares parameters.