Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest shell.
| Data collection | |
| Space group | P43212 |
| Wavelength () | 0.9791 |
| Unit-cell parameters (, ) | a = b = 160.21, c = 45.12, = = = 90 |
| Resolution () | 50.02.9 (3.062.90) |
| Mosaicity () | 0.65 |
| Overall B factor from Wilson plot (2) | 70.6 |
| R merge † (%) | 12.0 (42.2) |
| I/(I) | 12.9 (4.6) |
| Completeness (%) | 98.1 (98.0) |
| Multiplicity | 10.5 (10.7) |
| Unique reflections | 13311 (1896) |
| Refinement | |
| Resolution () | 50.02.9 |
| R factor‡/R free § (%) | 27.37/29.74 |
| R.m.s. deviations¶ | |
| Bond lengths () | 0.0127 |
| Bond angles () | 1.853 |
| No. of protein atoms | 2162 |
| B factor (2) | 55.25 |
| Ramachandran plot†† | |
| Most favoured regions (%) | 96.0 |
| Additionally allowed regions (%) | 4.0 |
| Outliers (%) | 0 |
†
R
merge = 
, where Ii(hkl) is the intensity of the ith measurement and I(hkl) is the mean intensity for that reflection.
‡
R factor = 
, where |F
obs| and |F
calc| are the observed and calculated structure-factor amplitudes, respectively.
§
R free was calculated with 5.0% of the reflections in the test set.
¶
R.m.s.d. from ideal values.
††
Categories were defined by PROCHECK.