Table 1.
Data Collection and Refinement Statistics for AnkB
| Data Collection | 54–168 | 1–168/Skp1(1–163) |
|---|---|---|
| Space group | C2221 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 54.32, 80.49, 54.08 | 53.58, 57.04, 150.90 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 50–1.15 (1.17–1.15)a | 50–2.85 (2.90–2.85) |
| Rsym | 0.104 (0.435) | 0.113 (0.622) |
| I/σI | 22.3 (3.8) | 48.5 (6.42) |
| Completeness (%) | 98.6 (97.9) | 100 (100) |
| Redundancy | 3.6 (3.6) | 14.2 (14.5) |
| CC1/2 in highest shell | 0.842 | 0.920 |
| Refinement | ||
| Resolution (Å) | 45.0–1.15 | 75.45–2.85 |
| No. reflections | 39,731 | 10,735 |
| Rwork/Rfree | 0.173/0.191 | 0.219/0.275 |
| No. atoms | ||
| Protein | 941 | 2,498 |
| Water | 166 | 5 |
| B-factors | ||
| Protein | 12.8 | 40.4 |
| Water | 24.5 | 48.7 |
| RMSDs | ||
| Bond lengths (Å) | 0.016 | 0.008 |
| Bond angles (°) | 1.697 | 1.253 |
| Ramachandran statistics (%) | ||
| Most favored regions | 100.0 | 95.7 |
| Additional allowed regions | 0.0 | 4.3 |
a
Highest resolution shell is shown in parentheses.