Table 1. Data-collection and refinement statistics for DmPCNA.
Data collection | |
Space group | H3 |
Unit-cell parameters (Å) | a = b = 151.16, c = 38.28 |
Wavelength (Å) | 0.97915 |
Resolution range (Å) | 50.0–2.00 (2.03–2.00) |
Total reflections | 20100 |
Unique reflections | 1026 |
Completeness (%) | 91.6 (95.5) |
Multiplicity | 2.8 (2.9) |
R merge † | 0.070 (0.282) |
〈I/σ(I)〉 | 28.9 (4.2) |
Mosaicity (°) | 0.300 |
Matthews coefficient (Å3 Da−1) | 3.94 |
Refinement | |
Resolution (Å) | 28.57–2.00 |
No. of reflections | 19958 (1028) |
R work/R free ‡ | 0.228 (0.278) |
No. of atoms | |
Protein | 1845 |
Water | 116 |
R.m.s. deviations | |
Bond lengths (Å) | 0.006 |
Bond angles (°) | 1.156 |
Ramachandran favoured (%) | 95.63 |
Ramachandran outliers (%) | 0.87 |
Average B factors (Å2) | 34.35 |
R merge = .
R work = − . R free was computed identically except that all reflections belonged to a test set consisting of a randomly selected 5% of the data.