Table 1. Diffraction data and crystallographic refinement statistics.
Values in parentheses are for the highest resolution shell.
Data collection | |
Space group | P41212 |
Unit-cell parameters (, ) | a = b = 46.69, c = 111.53, = = = 90 |
Resolution range () | 43.072.00 (2.072.00) |
Total reflections | 57414 (3708) |
Unique reflections | 8503 (641) |
R merge (%) | 3.5 (17.4) |
Completeness (%) | 95.4 (74.5) |
I/(I) | 34.2 (7.9) |
Refinement | |
R cryst (%) | 22.8 |
R free (%) | 28.4 |
R.m.s. deviations from ideal geometry | |
Bond lengths () | 0.02 |
Bond angles () | 1.6 |
Ramachandran plot statistics | |
Residues in most favored regions (%) | 95.2 |
Residues in additional allowed regions (%) | 4.8 |
Residues in disallowed regions (%) | 0 |
Average B value, all atoms (2) | 23.91 |