Table 1. Data-collection and refinement summary.
Data collection | |
Space group | P4212 |
Unit-cell parameters () | a = b = 138.7, c = 186.8 |
No. of molecules in the ASU | 4 |
Resolution () | 2.8 |
R merge | 9.3 (36) |
I/(I) | 17.32 (3.56) |
Completeness | 99.6 (98.2) |
Refinement | |
Refinement program | REFMAC5 |
Reflections in the working set | 41393 |
Reflections in the test set | 2179 |
R factor (%) | 20.8 |
R free (%) | 25.6 |
No. of atoms modelled | 10565 |
No. of waters | 33 |
Average B factor (2) | 38.1 |
Average B factor, solvent (2) | 25 |
R.m.s.d. from ideal | |
Bond lengths () | 0.009 |
Angles () | 1.18 |
Ramachandran plot | |
Most favoured (%) | 91.6 |
Additionally allowed (%) | 8.1 |
Generously allowed (%) | 0.3 |
Disallowed (%) | 0 |