Table 2.
Data-collection and refinement statistics for L. major GSK-3 short
Wavelength (Å) | 0.9184 |
Resolution (Å) | 50 – 2.0 (2.00 – 2.07) |
Space group | C2221 |
Unit cell (Å) | a = 70.2, b = 155.7, c = 158.8. |
Total number of observations | 358269 |
Unique reflections | 54336 (3879) |
Rmerge | 0.087 (0.691) |
Completeness (%) | 92.3 (66.6) |
Mean I/σ(I) | 20.1 (1.7) |
Redundancy | 6.6 (5.0) |
Wilson B factor (Å2) | 32.1 |
Refinement | |
Resolution (Å) | 40 –2.0 |
R/Rfree | 0.226/0.271 |
Rmsd bonds (Å) | 0.022 |
Rmsd angles (°) | 1.968 |
Protein atoms | 5415 |
Water molecules | 196 |
Mean B protein (Å2) | 46.1 |
Mean B other atoms (Å2) | 39.8 |
Residues in most favored regions (%) | 96.1 |
Residues in allowed regions (%) | 100.0 |
Residues in disallowed regions (%) | 0 |