Table 3 Crystal data, data-collection statistics and refinement data.
Data Collection | |
Beamline | ID23-2 (ESRF, Grenoble) |
Wavelength (Å) | 0.8729 |
Space Group | C2221 |
Unit-cell parameters (Å, °) | a = 101.63, b = 114.03, c = 54.01 |
α = β = γ = 90 | |
Resolution (Å) | 32.47-1.75 (1.78-1.75)a |
Unique reflections | 32035 (1744) |
Completeness (%) | 99.9 (99.7) |
Multiplicity | 4.0 (3.9) |
Mean I/σI | 11.0 (3.0) |
Rmeas (all I+ and I−)b | 0.098 (0.537) |
Refinement statistics | |
Resolution of data used in refinement (Å) | 32.47–1.75 |
Reflections used in refinement | 31483 |
Completeness (%) | 98.2 |
Rcryst/Rfree (%)c | 16.5/19.0 |
R.m.s.d. bonds (Å) | 0.007 |
R.m.s.d. angles (°) | 1.19 |
Average B-factor (protein/solvent) (Å2) | 24.3/38.4 |
Number of atoms | |
Protein | 1896 |
Solvent | 302 |
Ramachandran plot (%)d | |
Favorable region | 98.4 |
Additionally allowed | 1.2 |
Outliers | 0.4 |
