Data collection and refinement statistics
| . | First crystal form . | Second crystal form . |
|---|---|---|
| Data collection statistics | ||
| Space group | C2 | P21 |
| Cell dimension | a = 179.9 Å; b = 55.5 Å; c = 114.7 Å; β = 90.1° | a = 25.1 Å; b = 54.4 Å; c = 61.8 Å; β = 95.5° |
| Resolution, Å | 50-2.8 (2.85-2.80) | 54.4-2.4 (2.47-2.40) |
| Completeness, % | 96.7 (73.2) | 97.8 (95.8) |
| Redundancy | 7.3 (6.3) | 3.6 (3.6) |
| I/σ(I) | 18.8 (1.8) | 6.7 (1.2) |
| Rmerge, % | 13.9 (84.2) | 12.3 (91.6) |
| Refinement statistics | ||
| Resolution, Å | 48.3-2.8 | 40.7-2.4 |
| No. of reflections | 27 216 | 6395 |
| Rwork/Rfree, % | 22.8/24.4 | 20.1/22.9 |
| RMSD bond, Å | 0.009 | 0.008 |
| RMSD angle, ° | 1.13 | 1.05 |
| Mean B-factors/Wilson plot, Å2 | 80.3/80.8 | 63.2/49.2 |
| Number of molecules in osymmetric unit | 5 | 1 |
| Ramachadran plot, % Favored/allowed/outliers | 95.2/4.5/0.3 | 96.9/3.1/0 |
| . | First crystal form . | Second crystal form . |
|---|---|---|
| Data collection statistics | ||
| Space group | C2 | P21 |
| Cell dimension | a = 179.9 Å; b = 55.5 Å; c = 114.7 Å; β = 90.1° | a = 25.1 Å; b = 54.4 Å; c = 61.8 Å; β = 95.5° |
| Resolution, Å | 50-2.8 (2.85-2.80) | 54.4-2.4 (2.47-2.40) |
| Completeness, % | 96.7 (73.2) | 97.8 (95.8) |
| Redundancy | 7.3 (6.3) | 3.6 (3.6) |
| I/σ(I) | 18.8 (1.8) | 6.7 (1.2) |
| Rmerge, % | 13.9 (84.2) | 12.3 (91.6) |
| Refinement statistics | ||
| Resolution, Å | 48.3-2.8 | 40.7-2.4 |
| No. of reflections | 27 216 | 6395 |
| Rwork/Rfree, % | 22.8/24.4 | 20.1/22.9 |
| RMSD bond, Å | 0.009 | 0.008 |
| RMSD angle, ° | 1.13 | 1.05 |
| Mean B-factors/Wilson plot, Å2 | 80.3/80.8 | 63.2/49.2 |
| Number of molecules in osymmetric unit | 5 | 1 |
| Ramachadran plot, % Favored/allowed/outliers | 95.2/4.5/0.3 | 96.9/3.1/0 |