TABLE 1.
Data collection and refinement statistics
| Data collection | |
| Space group | P3221 |
| Unit cell dimension (Å) | a = b = 92.8, c = 90.8 |
| Resolution range (Å) | 40.0-2.65 |
| Unique reflections | 13,522 (847)a |
| Average redundancy | 10.7 (8.2)a |
| Rsym (%)b | 10.2 (59.2)a |
| I/σ(I) | 23.7 (2.9)a |
| Completeness (%) | 99.9 (98.1)a |
| Refinement statistics | |
| Refinement resolution (Å) | 36.8-2.65 |
| Rcryst (%)c | 24.8 (28.5)d |
| Rfree (%) | 27.6 (30.4)d |
| Protein atoms | 2,036 |
| Waters and ligands | 49×H2O, 1×PEG, 9×NAG, 3×MAN, 1×FUCe |
| Root mean square deviation from ideal values | |
| Bond length (Å) | 0.007 |
| Bond angle (°) | 1.12 |
| Mean B-factor (Å2) | 84.3 |
| Wilson plot B-factor (Å2) | 87.2 |
| Ramachandran statistics | |
| Most favored region (%) | 95.3 |
| Additionally allowed (%) | 4.7 |
a Values are for the highest resolution shell in data collection (2.71-2.65 Å).
b Rsym = ΣhΣi|Ii(hkl) − 〈I(hkl)〉|/ΣhΣiIi(hkl).
c Rcryst = Σ‖Fo| − |Fc‖/Σ|Fo|, calculated from working data set. Rfree was calculated from 7.08% of data randomly chosen not to be included in refinement.
d Values are for the highest resolution shell in structure refinement (2.86-2.65 Å).
e NAG (N-acetyl glucosamine), MAN (mannose), FUC (fucose).