Table 2 Data and refinement statistics for SsRidA.
Wavelength (Ã…) | 1.54178 |
Resolution range (Å) | 34.75–2.004 (2.05–2.0) |
Space group | C 1 2 1 |
Unit cell (Å)(°) | 168.5 61.8 75.7 90.0 113.4 90.0 |
Total reflections | 291,545 |
Unique reflections | 47,652 (3089) |
Multiplicity | 6.1 (2.7) |
Completeness (%) | 98.86 (90.03) |
Mean I/sigma(I) | 9.10 (1.17) |
Wilson B-factor | 31.39 |
Rmeas | 0.125 (1.073) |
Rpim | 0.046 (0.619) |
CC1/2 | 0.870 (0.493) |
Reflections used in refinement | 47,652 (3089) |
Reflections used for R-free | 1990 (122) |
Rwork | 0.2014 (0.3084) |
Rfree | 0.2601 (0.3358) |
Number of non-hydrogen atoms | 6114 |
macromolecules | 5683 |
solvent | 431 |
Protein residues | 749 |
RMS(bonds) | 0.002 |
RMS(angles) | 0.47 |
Ramachandran favored (%) | 97.29 |
Ramachandran allowed (%) | 2.71 |
Ramachandran outliers (%) | 0 |
Rotamer outliers (%) | 0.49 |
Clashscore | 3.58 |
Average B-factor | 36.78 |
macromolecules | 36.49 |
solvent | 40.48 |
