Table II.
Crystallographic data collection and refinement statistics
| 6xWa | 6xYb | |
|---|---|---|
| Space group | P212121 | P212121 |
| Cell constants (Å) | a = 47.1 | a = 34.8 |
| b = 48.5 | b = 46.8 | |
| c = 69.7 | c = 67.6 | |
| α = 90° | α = 90° | |
| β = 90° | β = 90° | |
| γ = 90° | γ = 90° | |
| Max resolution (Å) | 1.70 | 1.75 |
| Highest shell (Å) | 1.74–1.70 | 1.81–1.75 |
| Mosaicity (°) | 0.76 | 0.63 |
| Redundancy | 7.5 | 7.3 |
| Mol/ASU | 1 | 1 |
| Matthews coef. (Å3/Da) | 2.68 | 1.87 |
| Total reflections | 135,200 | 85,201 |
| Unique reflections | 17,987 | 11,690 |
| I/σ (overall) | 58.0 | 54.3 |
| I/σ (highest shell) | 4.1 | 4.3 |
| Completion overall (%) | 98.8 | 98.3 |
| Completion highest shell (%) | 99.9 | 99.6 |
| Rmerge overall (%) | 7.6 | 5.2 |
| Rmerge highest shell (%) | 40.2 | 31.1 |
| Nonhydrogen protein atoms | 1005 | 1023 |
| Solvent molecules/ion | 136/2 | 116/1 |
| Rcryst (%) | 19.5 | 18.7 |
| Rfree (%) | 23.2 | 21.6 |
| RMSD bond length (Å) | 0.007 | 0.007 |
| RMSD bond angle (°) | 1.04 | 1.10 |
| Ramachandran plot: | ||
| favored (%) | 97.5 | 100.0 |
| allowed (%) | 2.5 | 0.0 |
| outlier (%) | 0.0 | 0.0 |
| PDB accession | 4QKS | 4QKR |
a
1.4M (NH4)2SO4, 0.1M Tris pH 7.0, 0.07M Li2SO4.
b
30% PEG 8000, 0.1M Imidazole HCl pH 8.0, 0.2M NaCl.