Table 3.
Data collection and refinement statistics
| SKLB028 (PDB code 5YL2) | Colchicine (PDB code 5XIW) | MIL (PDB code 5YLJ) | SKLB050 (PDB code 5YLS) | Apo (PDB code 5XP3) | |
|---|---|---|---|---|---|
| Data collection statistics | |||||
| X-ray source | SSRF-BL17U1 | SSRF-BL17U1 | SSRF-BL17U1 | SSRF-BL17U1 | SSRF-BL19U1 |
| Wavelength (Å) | 0.97845 | 0.97845 | 0.97845 | 0.97845 | 0.97845 |
| Resolution range (Å) | 50.0–2.09 (2.15–2.09) | 50.0–2.90 (2.98–2.90) | 50–2.70 (2.77–2.70) | 50–3.00 (3.07–3.00) | 50.0–2.30 (2.37–2.30) |
| Space group | P 212121 | P 212121 | P 212121 | P 212121 | P 212121 |
| Unit cell: ambic (Å) | 105.542, 158.199, 181.797 | 105.491, 159.148, 181.702 | 105.231, 157.367, 182.684 | 105.767, 159.054, 183.151 | 105.168, 157.964, 181.408 |
| Total reflections | 1,034,053 | 441,140 | 507,371 | 415,606 | 881,784 |
| Unique reflections | 106,543 (7,060) | 65,289 (5,379) | 86,475 (6,924) | 62,464 (4,106) | 133,224 (10,957) |
| Redundancy | 6.7 (6.6) | 6.8 (7.0) | 6.8 (6.6) | 6.7 (6.8) | 6.6 (6.5) |
| Completeness (%) | 100 (100) | 100 (100) | 100 (99.9) | 100 (100) | 100 (100) |
| Mean I/σ(I) | 18.62 (2.25) | 14.4 (2.25) | 13.75 (2.25) | 15.90 (2.25) | 19.50 (2.31) |
| Remerge | 0.094 (0.588) | 0.164 (0.715) | 0.132 (0.695) | 0.120 (0.673) | 0.081 (0.662) |
|
| |||||
| Refinement statistics | |||||
| Rwork/Rfree | 0.208/0.253 | 0.204/0.253 | 0.216/0.256 | 0.208/0.252 | 0.189/0.24 |
| RMSD bond length (Å)a | 0.008 | 0.008 | 0.007 | 0.007 | 0.012 |
| RMSD bond angle (°) | 1.314 | 1.26 | 1.228 | 1.239 | 1.57 |
| Ramachandran plot statistics | |||||
| Favored regions (%) | 97.6 | 97 | 98.1 | 98 | 97.6 |
| Additional allowed regions (%) | 2.3 | 2.68 | 1.8 | 1.8 | 2.1 |
| Disallowed regions (%) | 0 | 0.32 | 0.1 | 0.2 | 0.3 |
a RMSD, root mean square deviation.