Table 2. Data-collection and refinement statistics for the NPCt–MJ20 complex.
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).