Table 1. Data collection and refinement statistics.
| CD6-CA/09 NA | |
|---|---|
| Data collection | |
| Space group | C222 |
| Cell dimensions | |
| a, b, c (Å) | 141.74, 195.78, 141.92 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å) | 50–2.80 (2.87–2.80)* |
| Rsym or Rmerge | 0.143(0.521) |
| I/σI | 18.1(4.4) |
| Completeness (%) | 93.5(99.1) |
| Redundancy | 4.7(5.0) |
| Refinement | |
| Resolution (Å)† | 50–2.80 (2.87–2.80) |
| No. of reflections | 46,132 |
| Rwork/Rfree | 0.181/0.224 |
| No. of atoms | |
| Protein | 12,635 |
| Ligand/ion | 116 |
| Water | 181 |
| B-factors | |
| Protein | 48.1 |
| Ligand/ion | 82.0 |
| Water | 40.1 |
| r.m.s. deviations | |
| Bond lengths (Å) | 0.013 |
| Bond angles (°) | 1.60 |
*Values in parentheses are for highest-resolution shell.
†A single crystal was used for both structure determination at 2.8 Å resolution and refinement.