TABLE 1.
Data collection and refinement statistics
| LGR415 | LGR49-Rspo1 | |
|---|---|---|
| Data collection | ||
| Space group | I213 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 173.76, 173.76, 173.76 | 44.87, 137.91, 82.56 |
| α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 100.13, 90.00 |
| Wavelength | 1.0000 | 0.97925 |
| Resolution (Å)a | 50-2.20 (2.28-2.20) | 50-2.20 (2.28-2.25) |
| Rsym or Rmerge | 0.116 (0.610) | 0.090 (0.650) |
| I/σI | 56.9 (13.1) | 37.7 (11.3) |
| Completeness (%) | 100 (100) | 98.8 (98.3) |
| Redundancy | 28.1 (27.4) | 5.0 (5.2) |
| Refinement | ||
| Resolution (Å) | 50-2.2 | 50-2.25 |
| No. of reflections | 41,816 | 43,609 |
| Rwork/Rfree(%)b | 20.7/23.4 | 21.3/24.2 |
| No. of atoms | ||
| Protein | 3,477 | 5,859 |
| Water/ligand | 267 | 291 |
| B-factors (Å2) | ||
| Protein | 30.34 | 28.49 |
| Water/ligand | 35.04 | 17.40 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.007 | 0.009 |
| Bond angles (°) | 1.171 | 1.267 |
| Ramachandran plot | ||
| Preferred regions(%) | 92.6 | 92.9 |
| Allowed regions(%) | 7.4 | 7.1 |
a The data for the highest resolution shell are shown in parentheses.
b Rfree is calculated using 10% of the total number of reflections.