Table S2.
Rerefinement statistics*
| αXβ2 | β2 hybrid+PSI+EGF1 | β2 hybrid+PSI+EGF1–2 | β2 hybrid+PSI+EGF1–3 | |||||
| Data collection | ||||||||
| Space group | P212121 | P212121 | ||||||
| Cell dimensions | ||||||||
| a, b, c, Å | 132.1, 163.6, 536.9 | 132.0, 163.5, 536.4 | ||||||
| α, β, γ, ° | 90, 90, 90 | 90, 90, 90 | ||||||
| Resolution, Å | 48.6–3.56 | 49.5–3.15 | ||||||
| CC1/2† | Not reported | 99.8 (12) | ||||||
| Rmerge‡ | 16.1 (137.1) | 20.5(876) | ||||||
| I/σI | 12.0 (1.9) | 9.46(0.2) | ||||||
| Completeness, % | 99.9 (100.0) | 98.6(84.8) | ||||||
| Redundancy, % | 7.6 (N/A) | 7.2(4.9) | ||||||
| No. reflections, total/unique | 1,108,987 (147,271) | 1,431,576 (198,644) | ||||||
| Refinement statistics | ||||||||
| Resolution range, Å | 48.6–3.56 | 49.5–3.3 | 30–1.8 | 30–1.8 | 27.8–1.75 | 27.8–1.75 | 25–2.2 | 25–2.2 |
| Rwork, %§ | 29.7 | 25.8 | 23.4 | 17.7 | 20.4 | 19.7 | 26.1 | 22.2 |
| Rfree, %¶ | 33.5 | 30.8 | 25.3 | 22.9 | 25.3 | 24.5 | 30.8 | 27.6 |
| Model statistics | ||||||||
| rmsd | ||||||||
| Bond lengths, Å | 0.003 | 0.007 | Not reported | 0.009 | Not reported | 0.003 | Not reported | 0.004 |
| Bond angles, ° | 0.648 | 1.204 | Not reported | 1.123 | Not reported | 0.725 | Not reported | 0.923 |
| Ramachandran plot, favored/allowed/outlier# | 76.3/21.4/2.3 | 89.8/8.3/1.9 | 9.6/2/1.4 | 98/2/0 | 97.1/1.8/1.1 | 97.8/2.2/0 | 95.3/4.7/0 | 96/4/0 |
| MolProbity percentile, Clashscore/geometry§ | 86/95 | 97/100 | 45/32 | 99/99 | 87/52 | 95/98 | 98/62 | 99/96 |
| Number of residues | 6,432 | 6,427 | 214 | 224 | 280 | 280 | 310 | 310 |
| Number of metals | 17 | 17 | 0 | 0 | 0 | 0 | 0 | 0 |
| Number of carbohydrates | 42 | 112 | 2 | 5 | 3 | 3 | 1 | 2 |
| Number of cis-peptides | 22 | 22 | 1 | 1 | 6 | 1 | 2 | 1 |
| Number of waters | 3 | 67 | 219 | 235 | 268 | 260 | 199 | 185 |
| PDB ID code | 3K6S | 5ES4 | 1YUK | 5E6V | 2P26 | 5E6X | 2P28 | 5E6W |
Numbers in parentheses correspond to the outermost resolution shell.
CC1/2, Pearson’s correlation coefficient between average intensities of random half-datasets for each unique reflection (37).
Rmerge = ΣhklΣi|Ii(hkl) − 〈Ī(hkl)〉|/ΣhklΣiIi(hkl), where Ii(hkl)) and 〈I(hkl)〉 are the ith and mean measurement of the intensity of reflection hkl.
Rwork = Σhkl||Fobs(hkl)| − |Fcalc(hkl)||/Σhkl|Fobs(hkl)|, where Fobs(hkl) and Fcalc(hkl) are the observed and calculated structure factors, respectively. No I/σ cutoff was applied.
Rfree is the R value obtained for a test set of reflections consisting of a randomly selected ∼5% subset of the dataset excluded from refinement.
Residues in favored, accepted, and outlier regions of the Ramachandran plot as reported by MolProbity (36).