Table 1 Data collection and refinement statisticsa,b,c
BG18-BG505-35O22 (LCLS: MFX) PDB 6CH7 | BG18-BG505-35O22 (SSRL: 12-2) PDB 6CH8 | BG18-B41-35O22 (SSRL 12-2) PDB 6CH9 | BG18-BG505-IOMA (SSRL 12-2) PDB 6CHB | |
---|---|---|---|---|
Data collection | ||||
Space group | H32 | H32 | H32 | P43212 |
Cell, Å (a, b, c) | 238.9, 238.9, 354.0 | 239.2, 239.2, 355.3 | 241.6, 241.6, 344.5 | 175.1, 175.1, 454.4 |
Angles (α, β, γ) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 90 |
Wavelength | 1.309 Å | 1.00 Å | 1.00 Å | 1.00 Å |
Resolution (Å) | 49.66–3.80 | 39.5–4.10 | 39.8–4.95 | 39.81–6.78 |
(3.87–3.80) | (4.32–4.10) | (5.54–4.95) | (7.58–6.78) | |
Rpim (%) | – | 7.4 (84.1) | 8.1 (113.7) | 14.2 (139.5) |
Rmerge (%) | 53.4 (91.5) | – | – | – |
I/σI | 4.31 (0.32) | 8.2 (1.1) | 5.5 (0.8) | 5.6 (1.2) |
Completeness (%) | 99.1 (93.8) | 99.8 (99.9) | 99.8 (99.9) | 99.4 (99.6) |
Multiplicity | 9.2 (3.2) | 11.9 (12.2) | 9.9 (9.8) | 18.5 (19.3) |
CC1/2 | 95.9 (35.4) | 99.7 (61.3) | 99.6 (45.3) | 98.7 (64.8) |
Refinement statistics | ||||
Resolution (Å) | 49.66–3.80 | 39.5–4.10 | 39.8–4.85 | 39.81–6.78 |
(3.87–3.80) | (4.32–4.10) | (5.31–4.85) | (7.58–6.78) | |
Reflections | ||||
Measured | 354394 | 366818 | 166902 | 238633 |
Unique | 38101 | 30813 | 18521 | 13801 |
Rwork/Rfree | 24.3/25.7 | 25.3/26.7 | 29.4/31.8 | 37.9/39.1 |
Wilson B-factor (Å2) | 159.8 | 141.8 | 261.8 | 368.3 |
Number of atoms | ||||
Protein | 11,228 | 11,162 | 11,151 | 33,018 |
Carbohydrate | 842 | 799 | 779 | 264 |
R.m.s deviations | ||||
Bond lengths (Å) | 0.004 | 0.008 | 0.011 | 0.013 |
Bond angles (˚) | 0.837 | 0.945 | 0.913 | 1.450 |