Table 1. Data collection and structure determination of CaHsp104NTD and ScHsp104NTD.
Values in parentheses are for the highest resolution shell.
| Native CaHsp104NTD | SeMet CaHsp104NTD | Native ScHsp104NTD | |
|---|---|---|---|
| Data collection | |||
| Space group | P3221 | P3221 | C2 |
| Unit-cell parameters | |||
| a (Å) | 55.21 | 54.84 | 148.59 |
| b (Å) | 55.21 | 54.84 | 66.26 |
| c (Å) | 109.45 | 109.10 | 74.58 |
| α (°) | 90.00 | 90.00 | 90.00 |
| β (°) | 90.00 | 90.00 | 107.37 |
| γ (°) | 120.00 | 120.00 | 90.00 |
| Wavelength (Å) | 1.000 | 0.9790 | 1.000 |
| Resolution (Å) | 1.66 (1.69–1.66) | 1.78 (1.81–1.78) | 2.54 (2.58–2.54) |
| R merge | 0.072 (0.47) | 0.056 (0.28) | 0.078 (0.17) |
| 〈I/σ(I)〉 | 59.3 (2.1) | 89.1 (9.9) | 30.7 (4.7) |
| Completeness (%) | 99.4 (70.5) | 99.1 (80.5) | 96.2 (89.7) |
| Multiplicity | 16.1 | 21.4 | 3.5 |
| Refinement | |||
| Resolution (Å) | 1.66 | 2.54 | |
| No. of reflections | 23417 | 21839 | |
| R work | 0.170 (0.183) | 0.199 (0.221) | |
| R free | 0.203 (0.237) | 0.256 (0.313) | |
| No. of atoms | |||
| Protein | 1206 | 3807 | |
| Water | 243 | 11 | |
| B factors (Å2) | |||
| Protein | 29.4 | 47.7 | |
| Water | 47.0 | 48.3 | |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.006 | 0.009 | |
| Bond angles (°) | 0.970 | 1.348 | |