Table 1. Data collection, refinement statistics and quality of crystallographic structures.
| DATA COLLECTION STATISTICS | ||
|---|---|---|
| PARAMETERS | HsTIM N15D | HsTIM N71D |
| Space group | P212121 | P212121 |
| Monomers per asymetric unit | 2 | 2 |
| Unit cell: a,b,c (Å) | 47.6,70.7,146.4 | 64.9,72.8,93.3 |
| 90,90,90 | 90,90,90 | |
| Resolution range (Å) | 45.29–2.00 | 39.28–1.50 |
| Unique reflections | 34336 | 67516 |
| Average multiplicity | 4.7 | 3.7(3.6) |
| Completeness (%) | 99.41(100) | 96.6(99.1) |
| I/σ(I) | 10.8 | 7.2 |
| Mean (I/sd(I)) | 11.3 (4.0) | 10.9(2.3) |
| Rmerge (%) | 8.8(35.8) | 6.4(50.7) |
| Rwork/Rfree (%) | 17.9/22.4 | 19.8/22.5 |
| Water molecules per asymmetric unit | 452 | 350 |
| RMSD from ideal: bond lengths (Å) | 0.007 | 0.006 |
| RMSD from ideal: bond angles (°) | 1.024 | 1.025 |
| Mean overall B value (Å2) | 30.37 | 18.5 |
| Ramachandran plot (%): | ||
| Preferred regions | 96.07 | 96.69 |
| Allowed regions | 3.93 | 2.90 |
| Outliers | 0.00 | 0.41 |
| PDB code | 4UNK | 4UNL |
Values in parentheses are for the last resolution shell.