Table 1. Data Collection and Refinement Statistics.
Data Collection and Processing | |
Beamline | I04-I |
Wavelength (Å) | 0.9174 |
Resolution (Å) | 32.4–1.9 (2.0–1.9) |
Space group | C 2 2 2 |
Unit cell parameters | a = 109.67Å b = 177.51Å c = 76.37Å α = 90° β = 90° γ = 90° |
Unique reflections | 58733 (8465) |
Completeness (%) | 99.6 (99.6) |
Mn(I)/sd(I) | 15.3 (3.0) |
Multiplicity | 6.2 (6.3) |
Rmerge | 0.081 (0.669) |
Refinement | |
Rwork/Rfreea | 0.1571/0.2046 |
Molecules in ASU | 1 |
Average B-factor, all atoms (Å2) | 28.0 |
r.m.s.d. Bond lengths (Å) | 0.031 |
r.m.s.d. Bond angles (°) | 2.71 |
Ramachandran distribution (%)b | 96.9/2.7/0.4 |
Values for the highest resolution shell given in parenthesis
a Rfree calculated from 5% reflections omitted from structure refinement
b Favoured/Permitted/Disallowed