Extended Table 7.
Protein Characteristics | |
---|---|
Wavelength | 0.9792 |
Resolution range | 73.46 - 1.89 (1.958 - 1.89) |
Space group | P 1 |
Unit cell | 75.23 81.46 160.19 95.61 100.45 108.27 |
Total reflections | 500387 (50866) |
Unique reflections | 263887 (26397) |
Multiplicity | 1.9 (1.9) |
Completeness (%) | 94.02 (93.71) |
Mean I/sigma(I) | 7.10 (0.81) |
Wilson B-factor | 39.07 |
R-merge | 0.0697 (1.012) |
R-meas | 0.09856 (1.432) |
R-pim | 0.0697 (1.012) |
CC1/2 | 0.99 (0.391) |
CC* | 0.997 (0.75) |
Reflections used in refinement | 263708 (26331) |
Reflections used for R-free | 13239 (1334) |
R-work | 0.1758 (0.3703) |
R-free | 0.2087 (0.3946) |
CC(work) | 0.964 (0.695) |
CC(free) | 0.952 (0.649) |
Number of non-hydrogen atoms | 25714 |
macromolecules | 24521 |
ligands | 0 |
solvent | 1193 |
Protein residues | 3364 |
RMS(bonds) | 0.013 |
RMS(angles) | 1.18 |
Ramachandran favored (%) | 96.87 |
Ramachandran allowed (%) | 3.07 |
Ramachandran outliers (%) | 0.06 |
Rotamer outliers (%) | 1.00 |
Clashscore | 4.15 |
Average B-factor | 50.50 |
macromolecules | 50.58 |
solvent | 48.76 |
Number of TLS groups | 34 |
Statistics for the highest-resolution shell are shown in parentheses.