Table S2.
Space group | P 21 |
Unit cell parameters | |
a, b, c, Å | 48.783, 43.244, 61.234 |
α, β, γ, ° | 90, 111.52, 90 |
Resolution range, Å | 45.38–1.55 (1.58–1.55)* |
Rmerge, % | 5.3 (49.9) |
CC1/2, % | 99.9 (76.7) |
<I/σ(I)> | 14.0 (2.1) |
No. of reflections | 113,930 (5,098) |
No. of unique reflections | 34,495 (1,686) |
Multiplicity | 3.3 (3.0) |
Completeness, % | 99.4 (99.0) |
Rwork/Rfree†, % | 15.68/18.77 |
rmsd from ideal | |
Bond lengths, Å | 0.006 |
Bond angles, ° | 1.269 |
Average isotropic B factors, Å2 | |
Main chain | 13.03 |
Side chain | 17.81 |
Water molecules | 28.98 |
Ligands: BME, PGE, P6G | 35.84 |
Ramachandran plot‡, % | |
Residues in favored regions | 98.7 |
Residues in allowed regions | 1.3 |
Outliers | 0.0 |
Rotamer‡ outliers | 1.0 |
Values in parentheses are for the highest-resolution shell.
Rfree is calculated using a random 5% of data excluded from the refinement.
Ramachandran and rotamer analysis was carried out using Molprobity.