Table 1.
Data collection and refinement statistics of CRTH2–15mPGD2 complex
| Number of crystals | 7,061 |
| Space group | P212121 |
| Cell dimensions, Å | |
| a | 51.4 |
| b | 67.8 |
| c | 265.4 |
| Resolution, Å | 32.4–2.60 (2.69–2.60)* |
| No. reflections | 1,809,804 (12,462) |
| No. unique reflections | 29,269 (2,540) |
| Rsplit, % | 26.4 (513.5) |
| Mean I/σ(I) | 2.4 (0.2) |
| CC*, % | 99.1 (51.2) |
| Completeness, % | 98.9 (90.6) |
| Multiplicity | 61.8 (4.9) |
| Refinement | |
| Resolution, Å | 32.4–2.6† |
| No. reflections/free set | 15,632/781 |
| Rwork/Rfree | 0.229/0.267 |
| No. atoms | |
| Protein | 3,424 |
| Ligand | 26 |
| Water and ions | 51 |
| B-factors, Å2 | |
| Overall | 52.3 |
| Protein | 52.1 |
| Ligand | 36.2 |
| Water and ions | 77.2 |
| rmsds | |
| Bond lengths, Å | 0.002 |
| Bond angle, ° | 0.48 |
| Ramachandran stats, % | |
| Favored | 95.12 |
| Allowed | 4.88 |
| Disallowed | 0 |
*
Values in parentheses are for highest-resolution shell.
†
Data were anisotropically truncated by the STARANISO web server at 3.2-, 3.2-, and 2.6-Å resolution along the reciprocal unit cell vectors a*, b*, and c*, respectively.