Table 1. Data collection, phasing, and refinement statistics.
| Sun1-kash4 | Sun1-kash5 | Sun1-kash1 | |
|---|---|---|---|
| PDB accession | 6R16 | 6R2I | 6R15 |
| Data collection | |||
| Space group | P212121 | P6322 | P6322 |
| Cell dimensions | |||
| a, b, c (Å) | 104.37, 117.21, 138.42 | 80.16, 80.16, 177.62 | 80.45, 80.45, 182.55 |
| α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 120.00 | 90.00, 90.00, 120.00 |
| Wavelength (Å) | 0.9795 | 0.9282 | 0.9282 |
| Resolution (Å) | 48.83–2.75 (2.85–2.75)* | 88.81–1.54 (1.57–1.54)* | 65.09–1.82 (1.87–1.82)* |
| Rmeas | 0.111 (1.355) | 0.070 (1.551) | 0.085 (2.192) |
| Rpim | 0.056 (0.741) | 0.015 (0.329) | 0.019 (0.465) |
| Completeness (%) | 99.7 (97.5) | 97.5 (100.0) | 100.0 (100.0) |
| I/σ(I) | 15.4 (1.4) | 23.5 (2.2) | 21.5 (1.7) |
| CC1/2 | 0.999 (0.488) | 1.000 (0.801) | 1.000 (0.776) |
| Multiplicity | 7.1 (5.6) | 21.3 (22.1) | 20.6 (21.9) |
| Refinement | |||
| Resolution (Å) | 47.67–2.75 | 23.99–1.54 | 65.09–1.82 |
| No. reflections | 44658 | 49372 | 32230 |
| Rwork / Rfree | 0.2190/0.2549 | 0.1495/0.1683 | 0.1587/0.1817 |
| Cruickshank DPI (Å) | 0.25 | 0.06 | 0.06 |
| No. atoms | 10562 | 2127 | 2107 |
| Protein | 10451 | 1817 | 1845 |
| Ligand/ion | 21 | 1 | 26 |
| Water | 90 | 309 | 236 |
| B factors | 80.64 | 36.45 | 48.87 |
| Protein | 80.87 | 35.09 | 47.73 |
| Ligand/ion | 68.03 | 18.87 | 119.12 |
| Water | 56.37 | 44.50 | 50.06 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.002 | 0.011 | 0.013 |
| Bond angles (°) | 0.444 | 1.076 | 0.995 |
* Values in parentheses are for highest-resolution shell.