Table 1.
Wavelength (Å) | 0.97720 |
Resolution range (Å) | 50 – 2.3 (2.34 – 2.3) |
Space group | P 21 2121 |
Unit cell | 67.365 67.435 117.868 90 9090 |
Total reflections | 159302 |
Unique reflections | 24338 |
Multiplicity | 6.5 (6.6) |
Completeness (%) | 99.68 (97.25) |
Mean I/sigma(I) | 18.05 (6.97) |
Wilson B-factor | 28.25 |
R-sym | 0.074 (0.32) |
R-factor | 0.2281 (0.2270) |
R-free | 0.2479 (0.2761) |
Number of atoms | 4101 |
macromolecules | 3685 |
ligands | 197 |
water | 67 |
Protein residues | 476 |
RMS (bonds) | 0.009 |
RMS (angles) | 1.23 |
Ramachandran favored (%) | 99 |
Ramachandran outliers (%) | 0 |
Clashscore | 20.03 |
Average B-factor | 22.2 |
macromolecules | 21.6 |
solvent | 21.8 |