Table 1.
Ceg23ΔTM | |
---|---|
Data collection | |
Wavelength (Å) | 0.9798 |
Resolution range (Å)a | 64.02–2.80 (2.90–2.80) |
Space group | P 21 21 21 |
Cell dimensions | |
a, b, c (Å) | 67.35, 71.61, 142.87 |
α, β, γ (°) | 90.00, 90.00, 90.00 |
Total reflections | 223,467 |
Unique reflections | 17,429 (1654) |
Multiplicity | 12.8 (13.3) |
Completeness (%) | 98.76 (96.73) |
Wilson B-factor | 88.43 |
Mean I/σ(I) | 14.2 (2.5) |
Rmerge | 0.122 (0.878) |
Rmeas | 0.128 (0.912) |
Rpim | 0.068 (0.246) |
CC½ | 0.995 (0.901) |
Anomalous CC | 0.557 (0.005) |
Refinement | |
Resolution (Å) | 64.02–2.80 |
Reflections used in refinement | 17,418 (1655) |
Rwork | 0.2748 (0.3748) |
Rfree | 0.2986 (0.3625) |
Number of nonhydrogen atoms | 4689 |
Macromolecule atoms | 4689 |
Solvent | 4 |
RMS | |
Bonds (Å) | 0.012 |
Angles (°) | 0.68 |
Ramachandran (%) | |
Favored | 95.76 |
Allowed | 4.24 |
Rotamer outliers (%) | 0.00 |
a The values in parentheses are for highest-resolution shell.