Table 1.
Data collection and refinement statistics
| Parameter | β4 C58A | β4 C131W |
| Data collection | ||
| Space group | P32 2 1 | P 1 21 1 |
| Cell dimensions | ||
| a, b, c, in Å | 43.44, 43.44, 108.38 | 31.50, 42.50, 89.20 |
| α, β, γ, in degrees | 90.0, 90.0, 120.0 | 90.0, 91.5, 90.0 |
| Resolution, in Å | 27.09–1.72 (1.77–1.72)*,† | 29.51–1.74 (1.77–1.74)*,† |
| Rsym or Rmerge | 6.0 (70.1) | 6.2 (53.8) |
| I/σI | 21.4 (2.9) | 13.6 (2.6) |
| Completeness, % | 99.9 (98.5) | 98.8 (91.4) |
| Redundancy | 10.4 (8.9) | 3.6 (3.1) |
| Refinement | ||
| Resolution, in Å | 26.0–1.72 | 26.0–1.74 |
| No. reflections | 13,164 | 24,173 |
| Rwork/Rfree | 18.7/ 22.8 | 17.5/21.9 |
| No. atoms | ||
| Protein | 907 | 1,961 |
| Water | 143 | 279 |
| B-factors | ||
| Protein | 29.4 | 20.8 |
| Water | 43.8 | 32.3 |
| rmsd | ||
| Bond lengths, in Å | 0.007 | 0.007 |
| Bond, in degrees | 1.189 | 1.172 |
*
For each structure, one crystal was used for data collection and structure determination.
†
Values in parentheses indicate the highest-resolution shell.