Table 1.
Data collection, phasing, and refinement statistics for OPCML (MR-SAD)
| Native | K2PtCl4 | |
|---|---|---|
| Data collection | ||
| Space group | P41212 | I4122 |
| Cell dimensions | ||
| a, b, c (Å) | 93.6, 93.6, 262.2 | 98.8, 98.8, 267.1 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 18.5–2.65 (2.74–2.65)a | 48.3–3.17 (3.25–3.17) |
| R sym | 17.1 (273.6) | 18.7 (301.5) |
| R pim | 4.7 (73.8) | 3.6 (56.6) |
| I/σ(I) | 9.7 (1.2) | 11.5 (1.1) |
| CC 1/2 | 100 (68.5) | 100 (82.3) |
| Completeness (%) | 95.8 (88.8) | 100.0 (100.0) |
| Redundancy | 14.4 (14.5) | 28.2 (29.1) |
| Refinement | ||
| Resolution (Å) | 18.5–2.65 (2.74–2.65) | |
| No. reflections | 33374 (3021) | |
| Rwork/Rfree | 28.7/30.4 | |
| No. atoms | 4392 | |
| Protein | 4216 | |
| Ligand/ion (carbohydrate) | 134 | |
| Water | 42 | |
| B factors | ||
| Protein | 84.6 | |
| Ligand/ion | 91.0 | |
| Water | 74.2 | |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.006 | |
| Bond angles (°) | 0.99 | |
| NCS RMSD (Å) | ||
| All domains | 1.10 | |
| D1 (43–134) | 0.24 | |
| D2 (135–222) | 0.19 | |
| D3 (223–319) | 0.64 | |
aValues in parentheses are for highest-resolution shell