Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Peak | Inflection | Remote | |
|---|---|---|---|
| Data collection | |||
| Space group | P212121 | ||
| Wavelength () | 0.97883 | 0.97923 | 0.96000 |
| Unit-cell parameters | |||
| a () | 57.61 | 57.63 | 57.63 |
| b () | 66.34 | 66.38 | 66.36 |
| c () | 69.84 | 69.89 | 69.87 |
| = = () | 90 | ||
| Resolution () | 301.45 (1.501.45) | ||
| No. of observations | 1394843 (137059) | 697462 (68919) | 697928 (67201) |
| No. of unique reflections | 48282 (4759) | 48327 (4753) | 48241 (4766) |
| Completeness (%) | 99.9 (100.0) | 99.9 (100.0) | 99.9 (100.0) |
| Multiplicity | 28.9 (28.8) | 14.4 (14.5) | 14.5 (14.1) |
| Mean I/(I) | 100.2 (14.0) | 74.3 (9.3) | 64.6 (7.0) |
| R merge † (%) | 8.8 (38.9) | 7.1 (37.1) | 7.8 (44.6) |
| Refinement | |||
| Resolution () | 301.45 | ||
| No. of reflections | 48122 | ||
| R work ‡/R free | 0.189 (0.205) | ||
| Molecules per asymmetric unit | 2 | ||
| No. of atoms | |||
| Protein | 1983 | ||
| Water | 228 | ||
| B factors (2) | |||
| Protein | 15.7 | ||
| Water | 22.5 | ||
| R.m.s.d. from ideal values | |||
| Bond lengths () | 0.006 | ||
| Bond angles () | 1.084 | ||
| Ramachandran plot (%) | |||
| Most favoured regions | 98.8 | ||
| Allowed regions | 1.2 | ||
| Outliers | 0.0 | ||
†
R
merge = 
.
‡
R
work = 
.