Table 1.
Data collection and refinement statistics
| AaNGT-UDP-Gal | AaNGT-UDP-2F-Glc | AaNGT-UDP-peptide | |
|---|---|---|---|
| Data collection | |||
| Space group | P212121 | P212121 | P212121 |
| Wavelength (Å) | 0.9792 | 0.9792 | 0.9792 |
| Cell dimensions | |||
| a, b, c (Å) | 47.34, 113.33, 260.11 | 47.07, 114.00, 258.01 | 47.03, 111.48, 256.37 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Number of protein molecules per asymmetric unit | 2 | 2 | 2 |
| Resolution (Å) | 20–1.76 (1.86–1.76)a | 258.01–2.73 (2.88–2.73)a | 20–2.80 (2.95–2.80)a |
| Rmerge | 0.065 (1.796) | 0.104 (2.173) | 0.177 (2.049) |
| Rpim | 0.025 (0.691) | 0.044 (0.914) | 0.063 (0.740) |
| Mn(I) half-set correlation CC(1/2) | 0.999 (0.430) | 0.998 (0.458) | 0.996 (0.352) |
| I / σI | 14.2 (1.2) | 8.7 (0.9) | 8.2 (2.1) |
| Completeness (%) | 99.9 (100) | 100 (100) | 99.7 (100) |
| Redundancy | 7.7 (7.7) | 6.6 (6.6) | 8.4 (8.1) |
| Total number of reflections | 1074677 | 250180 | 286978 |
| Total number unique reflections | 139852 | 38131 | 34243 |
| Refinement | |||
| Resolution (Å) | 1.76 | 2.73 | 2.80 |
| Rwork/Rfree | 0.173 (0.2096) | 0.197/0.245 | 0.178/0.237 |
| No. atoms | |||
| Protein | 9958 | 9966 | 9919 |
| Peptide | – | – | 79 |
| UDP | – | 25 | 50 |
| Ethylenglycol | 102 | – | – |
| UDP-Gal | 36 | – | – |
| UDP-2F-Glc | – | 36 | – |
| Waters | 787 | 8 | 5 |
| B-factors (Å2) | |||
| Protein | 40.66 | 111.37 | 88.56 |
| Peptide | – | – | 109.35 |
| UDP | – | 144.216 | 86.30 |
| Ethylenglycol | 57.15 | – | – |
| UDP-Gal | 47.30 | – | – |
| UDP-2F-Glc | – | 124.72 | – |
| Waters | 45.87 | 74.16 | 60.51 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.0138 | 0.0061 | 0.0095 |
| Bond angles (°) | 1.8771 | 1.396 | 1.6565 |
One crystal was used to determine the crystal structure.
aValues in parentheses are for highest-resolution shell.