Table 1.
Data collection and refinement statistics
| Lgr4 | Lgr4 | Complex | |
|---|---|---|---|
| Native | (NH4)2PtCl4 (SAD) | Lgr4/Rspo1 | |
| Resolution range (Å) | 113.8 - 2.66 (2.8 - 2.66) | 49.53 - 2.92 (3.08 - 2.92) | 50 - 3.2 (3.31 - 3.2) |
| Space group | C 2 2 21 | P 4 21 2 | C 2 2 21 |
| Unit cell | 60.29 158.582 227.609 90 90 90 | 152.615 152.615 111.458 90 90 90 | 103.379 160.923 82.216 90 90 90 |
| Total reflections | 202138 | 384476 | 51022 |
| Unique reflections | 31899 | 35527 | 11576 |
| Multiplicity | 6.3 (6.4) | 13.1 (13.7) | 4.4 (4.4) |
| Completeness (%) | 99.76 (99.87) | 99.31 (99.28) | 98.34 (96.29) |
| Mean I/sigma(I) | 12.57 (1.77) | 16.32 (1.83) | 10.00 (1.43) |
| Wilson B-factor | 64.49 | 75.15 | 94.06 |
| R-merge | 0.088 (0.872) | 0.096 (1.364) | 0.087 (0.966) |
| R-work | 0.2375 (0.3584) | 0.2560 (0.3981) | |
| R-free | 0.2732 (0.4375) | 0.2938 (0.4582) | |
| Number of atoms | 6807 | 4041 | |
| macromolecules | 6601 | 4027 | |
| ligands | 28 | 14 | |
| water | 178 | 0 | |
| Protein residues | 851 | 526 | |
| RMS(bonds) | 0.005 | 0.003 | |
| RMS(angles) | 1.18 | 1.00 | |
| Ramachandran favored (%) | 97 | 92 | |
| Ramachandran outliers (%) | 0 | 0 | |
| Clashscore | 14.14 | 13.15 | |
| Average B-factor | 66.60 | 70.60 | |
| macromolecules | 66.80 | 70.50 | |
| ligands | 75.80 | 93.40 | |
| solvent | 58.90 |
Statistics for the highest-resolution shell are shown in parentheses.