Table 3.
Crystallographic statistics.
Wavelength | 1 Å |
Resolution range | 41.9-1.92(1.99-1.92) |
Space group | C 1 2 1 |
Unit cell | 85.13 48.75 55.80 90 105.97 90 |
Total reflections | 16652 |
Unique reflections | 16650(1447) |
Multiplicity | 7.0(5.1) |
Completeness (%) | 96.1(79.9) |
Mean I/sigma(I) | 21.7 |
Wilson B-factor | 28.2 |
R-meas | 0.077(0.339) |
R-pim | 0.032(0.141) |
Reflections used in refinement | 16259(1337) |
Reflections used for R-free | 1616(133) |
R-work | 0.187(0.236) |
R-free | 0.240(0.313) |
Number of non-hydrogen atoms | 1824 |
macromolecules | 1646 |
solvent | 178 |
Protein residues | 200 |
RMS(bonds) | 0.006 |
RMS(angles) | 0.75 |
Ramachandran favored (%) | 97.4 |
Ramachandran allowed (%) | 2.1 |
Ramachandran outliers (%) | 0.5 |
Rotamer outliers (%) | 0.5 |
Clashscore | 6.8 |
Average B-factor | 42.0 |
macromolecules | 41.9 |
solvent | 43.7 |
Number of TLS groups | 8 |
Statistics for the highest-resolution shell are shown in parentheses.