Table 2.
Data collection and refinement statistics.
| TGP-Sb44 | |
|---|---|
| Data collection | |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 51.61, 83.49, 184.56 |
| α, β, γ (°) | 90, 90, 90 |
| Wavelength (Å) | 0.97930 |
| Resolution (Å) | 49.53–2.03 (20.9–2.03)a |
| Rmerge | 0.127 (1.694) |
| Rpim | 0.037 (0.504) |
| I/σI | 13.9 (1.6) |
| Completeness (%) | 99.3 (91.3) |
| Multiplicity | 12.8 (11.9) |
| CC*b | 0.999 (0.896) |
| Refinement | |
| Resolution (Å) | 45.04–2.03 |
| No. reflections | 51,724 |
| Rwork/Rfree | 0.1753/0.2155 |
| No. atoms | 5990 |
| Protein | 5435 |
| Ligand/ion | 86 |
| Water | 469 |
| No. residues | 670 |
| B-factors (Å2) | 39.40 |
| Protein | 39.07 |
| Ligand/ion | 36.65 |
| Water | 43.78 |
| R.m.s deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 0.90 |
| Ramachandran | |
| Favored (%) | 98.48 |
| Allowed (%) | 1.37 |
| Outlier (%) | 0.15 |
| PDB ID | 6LZ2 |
aHighest resolution shell is shown in parenthesis.
b