Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Space group | C2221 |
| Unit-cell parameters (Å) | a = 107.5, b = 126.4, c = 87.5 |
| Resolution range (Å) | 29.9–2.5 (2.6–2.5) |
| Wavelength (Å) | 0.973 |
| No. of measurements | 144524 (21138) |
| No. of unique reflections | 21004 (3022) |
| Multiplicity | 6.9 (7.0) |
| Completeness (%) | 99.9 (100.0) |
| Mean I/σ(I) | 11.9 (3.8) |
| Wilson B factor (Å2) | 46.9 |
| R merge † (%) | 9.6 (42.4) |
| R work ‡ (%) | 22.7 (28.0) |
| R free § (%) | 28.5 (33.0) |
| R.m.s.d. bonds (Å) | 0.019 |
| R.m.s.d. bond angles (°) | 1.802 |
| Ramachandran analysis | |
| Favoured (%) | 95.2 |
| Allowed (%) | 4.6 |
| Outliers (%) | 0.2 |
| Protein residues (total) | 432 |
| Atoms (total) | 3201 |
| Overall B factor (Å2) | 43.5 |
| Additional groups | |
| Waters | |
| No. | 24 |
| Average B factor (Å2) | 38.0 |
| Sulfates | |
| No. | 2 |
| Average B factor (Å2) | 53.4 |
†
R
merge = 
, where Ii(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the mean value of Ii(hkl) for all i measurements.
‡
R
work = 
, where F
obs is the observed structure-factor amplitude and F
calc is the structure-factor amplitude calculated from the model.
§
R free is the same as R work except calculated with a subset (5%) of data that were excluded from refinement calculations.