Table 1. Data processing and refinement statistics.
| Processing | |
| Wavelength (Å) | 0.9792 |
| Resolution range (Å)a | 30.0–1.70 (1.73–1.70) |
| Space group | P1 |
| Unit cell parameters (Å, °) | a = 48.89, b = 57.15, c = 64.30, α = 78.3, β = 90.2, γ = 79.1 |
| Unique reflections | 71 046 (3503) |
| Multiplicity | 2.2 (2.1) |
| Completeness (%) | 97.1 (95.5) |
| <I>/<σI> | 8.13 (2.26) |
| Wilson B factor (Å2) | 17.6 |
| R merge b | 0.082 (0.437) |
| Refinement | |
| Resolution (Å) | 30.0–1.70 |
| Reflections work/test set | 69 621/1423 |
| R work/Rfree | 0.174/0.202 |
| Average B factor (Å2) (no. of atoms) | |
| Macromolecules | 22.4 (5153) |
| Na+ | 28.4 (2) |
| Solvent | 28.1 (436) |
| Rmsd bond lengths (Å) | 0.011 |
| Rmsd bond angles (Å) | 1.368 |
| Ramachandran favoredd (%) | 97.8 |
| Ramachandran outliers (%) | 0 |
| Clashscored | 1.27 |
| PDB ID | 5E3E |
aValues in parentheses correspond to the highest resolution shell.
b R merge = ΣhΣj|Ihj – <Ih>|/ΣhΣjIhj, where Ihj is the intensity of observation j of reflection h.
c R = Σh|Fo| – |Fc|/Σh|Fo| for all reflections, where Fo and Fc are observed and calculated structure factors, respectively. Rfree is calculated analogously for the test reflections, randomly selected and excluded from the refinement.
dAs defined by Molprobity (74).