Table 2. Data collection and refinement statistics for all AgsA constructs.
| AgsA:His-DD | AgsA:DD | AgsA:DelC | |
|---|---|---|---|
| Data collection | |||
| Space group | P41212 | R32# | I23 |
| Cell dimensions | |||
| a, b, c (Å) | 53.07, 53.07, 81.84 | 89.78, 89.78, 707.48 | 126.40, 126.40, 126.40 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 120 | 90, 90, 90 |
| Resolution (Å) | 34.12–2.00 (2.11–2.00)* | 78.61–7.50 (7.91–7.50) | 63.20–4.10 (4.32–4.10) |
| Rsym or Rmerge (%) | 6.4 (71.9) | 8.9 (94.8) | 8.0 (103.7) |
| I/σI | 22.9 (4.1) | 8.0 (1.7) | 14.8 (2.5) |
| Completeness (%) | 99.8 (100) | 100 (100) | 100 (100) |
| Redundancy | 13.8 (14.1) | 4.9 (5.2) | 10.6 (10.9) |
| Refinement | |||
| Resolution (Å) | 2.00 | 7.50 | 4.10 |
| No. reflections | 8413 (1189) | 1625 (220) | 2757 (387) |
| Rwork/Rfree (%) | 21.99/25.43 | 35.15/39.58 | 38.58/41.27 |
| No. atoms | |||
| Protein | 717 | 4294 | 1599 |
| Ligand/ion | 8 | 0 | 0 |
| Water | 29 | 0 | 0 |
| B-factors (Å2) | |||
| Protein | 58.79 | 333.0 | 187.36 |
| Ligand/ion | 73.11 | − | − |
| Water | 54.76 | − | − |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.017 | 0.016 | 0.007 |
| Bond angles (°) | 1.991 | 2.918 | 1.539 |
*Values in parentheses are for highest-resolution shell.
#Data were processed in the hexagonal setting of space group R32.