TABLE 1.
Data collection and refinement statistics
| CRT | CRT/Glc1Man3 | CRT/Glc1Man3 | |
|---|---|---|---|
| Data collection | |||
| Space group | P212121 | P212121 | P21 |
| Cell dimensions | |||
| a, b, c (Å) | 43.11, 75.32, 79.59 | 42.73, 43.77, 133.34 | 74.62, 43.23, 84.63 |
| α, β, γ | 90.00°, 90.00°, 90.00° | 90.00°, 90.00°, 90.00° | 90.00°, 96.05°, 90.00° |
| Resolution (Å)a | 50-2.30 (2.34-2.30) | 50-1.95 (1.98-1.95) | 50-2.00 (2.03-2.00) |
| Rsym | 0.071 (0.280) | 0.062 (0.142) | 0.069 (0.248) |
| I/σI | 25.9 (6.3) | 23.2 (5.9) | 19.8 (5.4) |
| Completeness (%) | 99.8 (100.0) | 96.5 (80.2) | 100.0 (99.9) |
| Redundancy | 8.1 (7.2) | 4.5 (2.3) | 4.5 (3.8) |
| Refinement | |||
| Resolution (Å) | 54.7-2.30 | 66.7-1.95 | 84.2-2.01 |
| No. of reflections | 11,377 | 17,355 | 34,462 |
| Rwork/Rfree | 0.214/0.274 | 0.197/0.251 | 0.191/0.240 |
| No. of atoms | |||
| Protein | 2018 | 1994 | 4033 |
| Glc1Man3 | 0 | 45 | 90 |
| Calcium ions | 1 | 1 | 2 |
| Water | 56 | 177 | 374 |
| B-factors | |||
| Protein | 25.9 | 22.2 | 22.7 |
| Glc1Man3 | 24.5 | 27.1 | |
| Calcium ions | 27.5 | 16.4 | 21.0 |
| Water | 29.2 | 28.0 | 35.8 |
| r.m.s.d. | |||
| Bond lengths (Å) | 0.007 | 0.009 | 0.009 |
| Bond angles | 0.94° | 1.27° | 1.22° |
| Ramachandran statistics (%) | |||
| Most favored regions | 87.8 | 90.9 | 88.8 |
| Additional allowed regions | 12.2 | 9.1 | 11.2 |
a Highest resolution shell is shown in parentheses.