Table 1. Data collection and refinement statistics.
| Crystal: | TC-CD320 | TC-CD320ΔE88 | TC-CD320ano | TC-CD320ΔE88ano |
|---|---|---|---|---|
| Data collection | ||||
| Wavelength (Å) | 1.0 | 1.0 | 1.6 | 1.77 |
| Space group | P43212 | P43212 | P43212 | P43212 |
| Cell dimensions | ||||
| a,b, c (Å) | 98.10, 98.10, 356.0 | 98.40, 98.40, 356.3 | 97.94, 97.94, 356.5 | 97.81, 97.81, 354.7 |
| α,β,γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 2.1 | 2.6 | 3.0 | 3.0 |
| Rmerge | 0.1(0.9)* | 0.121(1.62) | 0.11 (0.44) | 0.186(0.97) |
| I/σI | 12(1.0) | 16.8(2.2) | 19.8 (7.2) | 25.4 (6.1) |
| Completeness (%) | 95.8(62.3) | 99.9(100) | 98.3 (97.4) | 98.4 (97.1) |
| Redundancy | 4.8(2.5) | 10.8(11.2) | 9.0 (9.3) | 35.7 (37.0) |
| Refinement | ||||
| Resolution (Å) | 2.1 | 2.6 | – | – |
| No. reflections | 101389 | 54979 | – | – |
| Rwork/Rfree | 0.1840/0.2075 | 0.2001/0.2305 | – | – |
| No. atoms | – | – | ||
| Protein/Cbl | 7515 | 7488 | – | – |
| Ca2+ ions | 6 | 4 | – | – |
| Water | 444 | 44 | – | – |
| B-factors | ||||
| Protein/Cbl | 58.6 | 74.4 | – | – |
| Ca2+ ions | 61.9 | 86.1 | – | – |
| Water | 55.0 | 62.4 | – | – |
| r.m.s deviations | ||||
| Bond lengths (Å) | 0.01 | 0.01 | – | – |
| Bond angles (°) | 1.93 | 1.89 | – | – |
| Ramachandran plot | – | – | ||
| Favoured (%) | 96.5 | 96.6 | – | – |
| Allowed (%) | 3.4 | 3.1 | – | – |
| Disallowed (%) | 0.1 | 0.3 | – | – |
*Values in parentheses are for the highest-resolution shell.