Table S1.
Data collection | VACV-C7 Se peak | VACV-C7 native | MYXV-M64 |
Beamline | 19-ID, APS | 19-ID, APS | 19-ID, APS |
Wavelength, Å | 0.97948 | 0.97948 | 0.97921 |
Space group | P213 | P213 | P212121 |
Cell parameters a, b, c, Å | 100.5, 100.5, 100.5 | 100.7, 100.7, 100.7 | 51.8, 70.9, 115.4 |
Resolution, Å | 50.0–2.5 (2.59–2.50) | 50.0–2.0 (2.07–2.0) | 50.0–2.5 (2.54–2.50) |
Total reflections | 257,049 | 458,131 | 141,699 |
Unique reflections | 11,974 (1,122) | 22,967 (1,987) | 15,289 (739) |
Redundancy | 21.5 (5.4) | 19.9 (3.4) | 9.3 (8.2) |
Completeness, % | 99.4 (93.7) | 98.7 (86.6) | 100 (99.9) |
I/σ | 62.8 (1.25) | 50.8 (1.8) | 22.6 (2.5) |
Rsym, % | 9.3 (78.0) | 6.8 (54.5) | 12.7 (82.0) |
Refinement statistics | |||
Resolution range used, Å | 45.0–2.00 (2.09–2.00) | 44.75–2.50 (2.65–2.50) | |
No. reflections used | 22,941 (2,437) | 15,168 (2,314) | |
Rwork/Rfree | 15.3/18.2 | 20.7/23.2 | |
Rmsd bond lengths, Å | 0.020 | 0.003 | |
Rmsd bond angles, ° | 1.656 | 0.699 | |
Number of atoms per average B, Å2 | |||
Protein | 1,267 (37.1) | 2,479 (57.6) | |
Ligand | 12 (74.7) | 8 (82.0) | |
Water | 160 (47.6) | 52 (50.8) | |
Ramachandran values | |||
Preferred regions, % | 97.3 | 97.6 | |
Allowed regions, % | 2.7 | 2.4 |
Values in parentheses are for the highest-resolution shell. Rsym = Σ |Iobs − Iavg|/Σ Iavg; Rwork = Σ|| Fobs | − |Fcalc||/Σ Fobs. Rfree was calculated using 5% of data.