Table 2. Crystallographic parameters.
| Structure | GtfB-CD apo (truncated) | GtfB-CD + acarbose | GtfB-CD + acarbose | GtfB-CD apo | GtfD-CD (truncated) |
|---|---|---|---|---|---|
| PDB code | 8fkl | 8fk4 | 8fjc | 8fj9 | 8fn5 |
| Data collection | |||||
| Space group | P212121 | P21212 | P4322 | P4322 | P212121 |
| a, b, c (Å) | 86.67, 90.86, 92.26 | 299.31, 215.77, 219.33 | 149.55, 149.55, 303.09 | 150.13, 150.13, 302.78 | 60.63, 126.77, 173.36 |
| Resolution (Å) | 1.48 | 3.25 | 2.50 | 2.50 | 1.92 |
| Unique reflections | 121563 (5970) | 222519 (10910) | 119150 (5822) | 119867 (5852) | 97783 (4973) |
| Completeness (%) | 99.9 (100) | 99.9 (100) | 100 (100) | 100 (99.8) | 95.6 (98.5) |
| Multiplicity | 7.4 (7.2) | 6.8 (7.1) | 10.2 (10.8) | 7.4 (7.2) | 3.6 (3.7) |
| R merge (%) | 8.1 (62.7) | 18.4 (241.4) | 25.2 (183.7) | 31.4 (396.6) | 10.0 (79.7) |
| R p.i.m. (%) | 3.2 (25.5) | 7.6 (97.2) | 8.4 (59.5) | 7.2 (88.2) | 5.7 (46.9) |
| CC1/2, highest shell | 0.861 | 0.394 | 0.446 | 0.439 | 0.657 |
| 〈I/σ(I)〉 | 13.6 (2.8) | 7.4 (1.0) | 9.3 (1.8) | 9.3 (1.1) | 7.7 (1.7) |
| Wilson B (Å2) | 19.6 | 99.3 | 41.2 | 51.3 | 25.9 |
| Refinement | |||||
| Resolution (Å) | 1.48 | 3.25 | 2.50 | 2.50 | 1.92 |
| Unique reflections | 121512 (12032) | 222189 (7357) | 119032 (3915) | 119738 (8700) | 97717 (9919) |
| Completeness (%) | 99.8 (100) | 99.8 (100) | 99.9 (100) | 100 (100) | 95.1 (98.1) |
| R work (%) | 14.9 (18.5) | 22.4 (37.7) | 18.6 (26.7) | 21.2 (33.7) | 22.2 (35.1) |
| R free (%) | 17.0 (21.2) | 25.5 (40.4) | 22.8 (34.0) | 24.1 (35.4) | 24.2 (35.5) |
| Average B (Å2) | |||||
| All | 30.0 | 103.8 | 45.8 | 59.7 | 33.5 |
| Protein | 28.8 | 103.6 | 44.8 | 59.8 | 33.6 |
| Waters | 40.3 | 61.4 | 41.7 | 48.2 | 30.8 |
| R.m.s.d., bond lengths (Å) | 0.027 | 0.020 | 0.011 | 0.013 | 0.013 |
| R.m.s.d., angles (°) | 1.68 | 0.56 | 1.21 | 1.71 | 1.71 |
| CC (F o − F c) | 0.97 | 0.94 | 0.94 | 0.94 | 0.95 |
| Ramachandran statistics | |||||
| Favored | 98% | 92.8% | 97.0% | 96% | 95.8% |
| Outliers | 2 | 0.4% | 1 | 1 | 0.4% |
| Clashscore | 2.29 | 4.83 | 3.65 | 3.90 | 5.19 |
| MolProbity score | 1.01 | 1.71 | 1.33 | 1.42 | 1.57 |