Table 2. Data-collection and refinement statistics for the NPCt–MJ20 complex.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Space group | P212121 |
| a, b, c (Å) | 45.41, 87.48, 130.40 |
| Resolution range (Å) | 50.00–1.75 (1.78–1.75) |
| 〈I/σ(I)〉 (at 1.75 Å) | 1.69 |
| Total No. of reflections | 422578 |
| No. of unique reflections | 53300 |
| Completeness (%) | 99.8 |
| Wilson B factor (Å2) | 27.5 |
| Multiplicity | 7.9 (8.0) |
| Refinement | |
| Resolution range (Å) | 42.88–1.75 (1.81–1.75) |
| No. of reflections (test set) | 53231 (1064) |
| R work/R free † | 0.175/0.202 |
| No. of atoms | |
| Protein | 8282 |
| Water | 567 |
| Average B ‡, all atoms (Å2) | 38.0 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.003 |
| Bond angles (°) | 0.649 |
| Ramachandran plot | |
| Favored (%) | 97.4 |
| Allowed (%) | 2.6 |
| Disallowed (%) | 0.0 |
| PDB code | 5vkd |
R
cryst (the crystallographic R factor) =
and R
free =
where all reflections belong to a test set of randomly selected data.
Atomic displacement parameter (B factor).