Table 1. Data-collection and refinement parameters.
Values in parentheses are for the highest resolution shell (1.79–1.74 Å).
| Space group | P22121 |
| Unit-cell parameters (Å) | a = 48.16, b = 66.70, c = 83.80 |
| Resolution (Å) | 31.6–1.74 |
| Unique reflections | 27516 |
| Completeness (%) | 95.3 (70.8) |
| Redundancy | 7.1 (3.3) |
| Rmerge† (%) | 4.6 (25.2) |
| I/σ(I) | 37.8 (3.7) |
| R factor‡ (%) | 19.2 |
| Rfree‡ (%) | 23.9 |
| B factors (Å2) | |
| Wilson plot | 25.1 |
| Protein | 24.9 |
| Water | 38.2 |
| Sulfate ions | 36.2 |
| Glycerol | 36.6 |
| R.m.s. deviations | |
| Bond distances (Å) | 0.015 |
| Bond angles (°) | 1.523 |
| ESU§ (Å) | 0.078 |
†
R
merge = 
, where Ii(hkl) is the observed intensity and 〈I(hkl)〉 is the average intensity of multiple symmetry-related observations of that reflection.
‡
R = 
. R
free is the same but calculated for a test set not used in structural refinement.
§
Estimated standard uncertainty based on R factor as implemented in REFMAC.