Table 2. Summary of refinement statistics.
Resolution range (Å) | 49.39–1.70 |
Data set used in refinement | Native |
No. of reflections (total/test) | 35346/1773 |
Rcryst† | 0.169 |
Rfree‡ | 0.221 |
R.m.s.d. bonds (Å) | 0.017 |
R.m.s.d. angles (°) | 1.642 |
Average B factor (Å2) | 21.98 |
No. of water molecules | 357 |
No. of ions | 1 Mg2+ |
Ramachandran plot, residues in | |
Most favorable region (%) | 90.9 |
Additional allowed region (%) | 8.8 |
Generously allowed region(%) | 0.3 |
Disallowed region (%) | 0.0 |
R cryst = , where F obs and F calc are the observed and calculated structure-factor amplitudes, respectively.
R free was calculated as R cryst using 5.0% of the randomly selected unique reflections that were omitted from structure refinement.