Table 1. Data collection and refinement statistics.
| 4B87; SNM1A, crystal form A | 5AHO; SNM1B | 5AHR; SNM1A, crystal form B | |
|---|---|---|---|
| Data collection | |||
| Space group | P 61 2 2 | P 41 3 2 | P 41 21 2 |
| Cell dimensions | |||
| a, b, c (Å) | 83.40 83.40 257.84 | 143.09 143.09 143.09 | 113.20 113.20 125.74 |
| α, β, γ (°) | 90.0 90.0 120.0 | 90.0 90.0 90.0 | 90.0 90.0 90.0 |
| Resolution (Å) | 72.23 – 2.16 (2.21-2.16)* | 50.59 – 2.16 (2.23-2.16)* | 80.04 – 2.19 (2.24-2.19)* |
| Rmerge | 0.09 | 0.22 | 0.10 |
| I / σI | 2.01 (at 2.16) | 1.88 (at 2.16) | 2.24 (at 2.18) |
| Completeness (%) | 100 (72.23 – 2.16) | 100.0 (50.59 – 2.16) | 100 (80.04-2.19) |
| Redundancy | 11.9 (12.2)* | 18.4 (14.8)* | 13.3 (13.5)* |
| Refinement | |||
| Resolution (Å) | 2.16 | 2.16 | 2.19 |
| No. of reflections | 29711 | 27439 | 42634 |
| Rwork/Rfree (in high-resolution shell) | 0.177/0.218 (0.29/0.308)a | 0.206/0.226 (0.310/0.325)a | 0.179/0.201 (0.283/0.319)a |
| No. of atoms | 2819 | 2758 | 2844 |
| Protein | 2626 | 2479 | 2649 |
| Ligand/ion | 17 | 46 | 5 |
| Water | 176 | 233 | 190 |
| B-factors | 47.4 | 33 | 47.0 |
| r.m.s. deviations | |||
| Bond lengths (Å) | 0.019 | 0.002 | 0.008 |
| Bond angles (°) | 1.95 | 0.592 | 1.067 |
aValues in parentheses are for highest-resolution shell.