Table 1. Data-collection and refinement statistics.
Data statistics | |
Space group | P31 |
Unit-cell parameters (Å, °) | a = b = 33.00, c = 52.03, α = β = 90.0, γ = 120.0 |
Wavelength (Å) | 0.8 |
No. of images | 280 |
Resolution (Å) | 15.73–0.98 (1.03–0.98) |
Completeness (%) | 98.6 (100.0) |
Total reflections | 253608 (35877) |
Unique reflections | 36372 (5431) |
Multiplicity | 7.0 (6.6) |
Rmerge† (%) | 10.7 (52.4) |
Mean I/σ(I) | 11.3 (3.1) |
Refinement statistics | |
Resolution range (Å) | 14.29–0.98 |
R factor | 0.167 |
Rfree | 0.171 |
No. of atoms (protein/water) | 504/91 |
Mean B factor (Å2) | 13.56 |
R.m.s. deviations from ideal | |
Bond lengths (Å) | 0.019 |
Bond angles (°) | 2.415 |
Ramachandran plot (%) | |
Most favoured | 94.6 |
Additionally allowed | 5.4 |
Disallowed | 0.0 |
R merge = , where Ii(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the mean value of Ii(hkl) for all i measurements.