TABLE 1.
Crystallographic and refinement statistics
| Parameter | Value |
|---|---|
| Temperature (°K) | 100 |
| Wavelength (Å) | 0.934 |
| Space group | P6522 |
| Cell dimensions | |
| a = b (Å) | 93.4 |
| c (Å) | 231.5 |
| Resolution range (Å) (outer bin) | 20-2.5 (2.59-2.5) |
| No. of unique reflections | 21,072 |
| Redundancy | 9 |
| Rsyma | 0.061 (0.192) |
| 〈I〉/〈σ〉 | 25.4 (9.4) |
| Completeness (%) | 99.7 (100) |
| No. of atoms | |
| Total | 3,539 |
| Protein | 3,202 |
| Carbohydrate | 148 |
| Water | 178 |
| Polyethylene glycol | 11 |
| Rwork/Rfreeb | 0.216/0.264 |
| RMSD | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.32 |
| Average B factorsc (Å2) | 47 |
a
Rsym = _j|Ij-〈I〉|/_|〈I〉| where Ij is the intensity measurement for reflection j, and 〈I〉 is the mean intensity for multiply recorded reflections.
b
Rwork,free = _‖Fobs|-|Fcalc‖/|Fobs| where the working and free R factors are calculated by using the working and free reflection sets, respectively. The free reflections are from a random 7% of the total.
c
The average B factors for the two molecules in the asymmetric unit were 44 and 50 Å2.