Table 1. Summary of data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Space group | I212121 |
| Unit-cell parameters | a = 82.36, b = 82.46, c = 194.67, α = β = γ = 90 |
| Data-collection statistics | |
| Wavelength (Å) | 0.96800 |
| Resolution (Å) | 32.4–2.35 (2.48–2.35) |
| No. of unique reflections | 24657 (3312) |
| Rmerge† | 0.075 (0.50) |
| I/σ(I) | 7.9 (1.5) |
| Completeness (%) | 96.7 (93.6) |
| Redundancy | 3.4 (3.4) |
| Refinement and model statistics | |
| Resolution (Å) | 32.4–2.35 (2.40–2.35) |
| No. reflections used (work + test) | 24657 |
| Rwork‡ | 0.212 (0.305) |
| Rfree‡ | 0.233 (0.294) |
| No. of residues (chain A/chain B) | 284/284 |
| No. of water molecules | 208 |
| Additional molecules | 3 glycerol, 2 sulfate |
| Total No. of atoms | 4624 |
| R.m.s.d. bond lengths (Å) | 0.015 |
| R.m.s.d. bond angles (°) | 0.81 |
| Mean B factor (Å2) | 54.1 |
| Ramachandran statistics (%) | |
| Core region | 88.4 |
| Additional allowed region | 11.2 |
| Generously allowed | 0.4 |
| Disallowed | 0.0 |
†
R
merge = 
, where Ii(hkl) is the intensity of the ith observation of unique reflection h.
‡
R
work and R
free = 
− 
for the working set and test set (5%) of reflections, where F
o(h) and F
c(h) are the observed and calculated structure-factor amplitudes for reflection h.