Extended Data Table 1.
Data collection and refinement statistics (molecular replacement)
| CCR2-T4L:BMS-681:CCR2-RA-[R]a | |
|---|---|
| Data collectionb wavelength (Å) | 1.03319 |
| Space group | P212121 |
| Unit cell parameters a,b,c (Å) | 59.19 64.69 169.90 |
| Number of reflections measured | 82,111 |
| Number of unique reflections | 15,550 |
| Resolution (Å) | 48-2.8 (2.95-2.8) |
| Rmerge (%) | 22.5(101) |
| Rpim (%) | 12.8(88.4) |
| Mean I/s(I) | 6.9(0.8) |
| Completeness (%) | 93.1(66.6) |
| Redundancy | 5.3(1.8) |
| Refinement | |
| Resolution (Å) | 25-2.81 (3.0, 3.0, 2.81) |
| Number of reflections (test set) | 14515 (746) |
| Rwork/Rfree | 0.227/0.272 (0.319/0.389) |
| Number of atoms | 3,580 |
| CCR2 | 2,215 |
| T4L | 1,243 |
| BMS-681 | 35 |
| CCR2-RA-[R] | 24 |
| Monoolein | 25 |
| Sulfate | 20 |
| Water | 17 |
| Zn | 1 |
| Mean overall B value (Å2) | 41.4 |
| Wilson B | 40.4 |
| Protein | 41.5 |
| Ligands | 41.3 |
| Water | 22.9 |
| Root mean square deviation | |
| Bond lengths (Å) | 0.003 |
| Bond angles (°) | 0.84 |
| Ramanchandran plot statisticsc (%) | |
| Favored regions | 97.3 |
| Allowed regions | 2.7 |
| Disallowed regions | 0 |
a
Diffraction data from 17 crystals were merged into a complete data set
b
Highest resolution shell statistics are shown in parentheses
c
As defined in MolProbity42