Table 1.
Diffraction data collection and refinement statistics.
| Data collection | SidF (7qf6) | SidF Nter (8kd8) |
|---|---|---|
| Space group | P 1 | C 2221 |
| Cell dimensions | ||
| a, b, c (Å) | 80.27 80.84 179.84 | 62.2 110.67 69.47 |
| α, β, γ(°) | 101.168 91.668 117.252 | 90 90 90 |
| Resolution (Å) | 174.82–1.87(1.90–1.87) | 29.42 – 2.58(2.70–2.58) |
| Rmerge Rpim |
0.061(0.459) 0.038(0.290) |
0.095(0.6) 0.04(0.255) |
| I/σI CC half |
17(3.6) 0.999(0.929) |
18.1(4.4) 0.998(0.942) |
| Completeness (%) Redundancy |
97.1 (96.2) 6.8(6.8) |
99.8(99.2) 12.1(12.3) |
| Refinement | ||
| Resolution (Å) | 174.82–1.87 | 29.42 – 2.58 |
| Total No. reflections | 4,925,967 | 95,327 |
| Rwork / Rfree | 0.17/0.21 | 0.17/ 0.24 |
| No. atoms Protein Ions ligands Waters B-factors Protein Ions ligands Waters |
30,901 28,812 2 114 1973 33.37 60.21 43.07 34.79 |
2712 2681 − − 31 53.88 − − 48.41 |
| R.M.S. deviations | ||
| Bond lengths (Å) | 0.015 | 0.013 |
| Bond angles (°) | 1.972 | 2.192 |