TABLE 2.
Data collection and processing statistics
| CBM_E1/C5 | CBM_E1/Apo | CBM_E1/Gd | |
|---|---|---|---|
| Data collection | |||
| Wavelength (Å) | 0.96 | 1.46 | 1.48 |
| Space group | I213 | I21 | I213 |
| Cell dimensions | |||
| a, b, c (Å) | 88.8 | 28.4, 26.5, 99.3 | 88.41 |
| β (°) | 92.8 | ||
| Resolution (Å) | 44.4–1.5 (1.53–1.5) | 27.62–1.74 (1.78–1.74) | 31.26–1.8 (1.84–1.8) |
| Total reflections | 114,680 | 51,818 | 113,830 |
| Unique reflections | 18,747 | 7,638 | 10,827 |
| Average mosaicity | 0.23 | 0.43 | 0.85 |
| Rmerge | 0.08 (0.84) | 0.08 (0.97) | 0.13 (0.81) |
| Rpim | 0.05 (0.52) | 0.05 (0.58) | 0.06 (0.38) |
| I/σI | 17.9 (2.2) | 14.8 (1.9) | 15.1 (4.0) |
| Completeness (%) | 99.5 (90.7) | 98.9 (81.0) | 100 (100) |
| Redundancy | 6.1 (5.6) | 6.8 (5.5) | 10.5 (10.3) |
| CC1/2 (%) | 99.9 (70.4) | 99.8 (32.9) | 99.7 (90.6) |
| Refinement | |||
| Rwork/Rfree (%) | 15.50/18.29 | 15.39/20.73 | |
| No. atoms | |||
| Protein | 713 | 676 | |
| Ligand/ion | 56 | ||
| Water | 179 | 117 | |
| B-factors (Å2) | |||
| Protein | 13.5 | 14.9 | |
| Ligand/ion | 20.7 | ||
| Water | 31.1 | 29.6 | |
| Root mean square deviations | |||
| Bond lengths (Å) | 0.022 | 0.006 | |
| Bond angles (°) | 1.72 | 0.81 | |
| Ramachandran | |||
| Favored | 97.9 | 95.6 | |
| Allowed | 2.1 | 4.4 | |
| Outliers | 0 | 0 | |