TABLE 1.
Single crystal x-ray data collection and refinement statistics
The values in the parentheses correspond to their high-resolution shell. The high R-value was noted because 10% of the total residues were missing. This is also due to weak reflection arising from the presence of a strong translational pseudosymmetry. The statistics from the Ramachandran map were calculated using the PROCHECK program, which is a part of the CCP4i package.
| Human β4GalT7 |
Drosophila β4GalT7 (xylobiose complex) |
Drosophila D211N-β4GalT7 |
|||
|---|---|---|---|---|---|
| Open conformation | Closed conformation | UDP-Gal complex | Xylobiose and UDP-Gal complex | ||
| Crystal data | |||||
| Unit cell (Å) | a = b = 125.2, c = 87.3 | a = 67.1, b = 121.5, c = 97.1, β = 95.1 | a = b = 81.8, c = 133.1 | a = b = 82.1, c = 133.4 | a = b = 82.68, c = 131.5 |
| Space group | P41212 | P21 | P43212 | P43212 | P43212 |
| Data collection | |||||
| Resolution (Ä) | 2.1 | 2.3 | 2.4 | 2.0 | 2.2 |
| Unique reflections | 44,450 | 66,815 | 15,814 | 27,652 | 24,123 |
| Data redundancy | 13.1 (11.5) | 4.4 (3.7) | 7.6 (7.0) | 11.2 (6.2) | 9.6 (7.4) |
| Completeness (%) | 99 (94) | 97 (83) | 95 (77) | 97 (85) | 99.9 (99.7) |
| 1/σ(I) | 36.5 (4.6) | 13.8 (2.3) | 21.2 (2.0) | 36.5 (3.2) | 24.7 (2.2) |
| Rsym | 0.063 (0.49) | 0.091 (0.52) | 0.074 (0.65) | 0.057 (0.35) | 0.077 (0.66) |
| Refinement | |||||
| Rfinal | 0.216 (0.24) | 0.193 (0.28) | 0.183 (0.28) | 0.181 (0.22) | 0.188 (0.28) |
| Rfree | 0.27 (0.31) | 0.24 (0.36) | 0.22 (0.33) | 0.20 (0.27) | 0.21 (0.32) |
| r.m.s.d. | |||||
| Bond length (Å) | 0.022 | 0.004 | 0.014 | 0.006 | 0.007 |
| Bond angle (°) | 1.930 | 0.950 | 1.561 | 1.097 | 1.137 |
| Ramachandran map | |||||
| Core region | 89.1 | 87.0 | 86.9 | 84.8 | 83.6 |
| Allowed region | 10.4 | 11.9 | 12.1 | 14.7 | 15.4 |
| Generously allowed | 0.5 | 0.8 | 0.9 | 0.5 | 0.9 |
| PDB entry | 4IRP | 4IRQ | 4LW6 | 4LW3 | 4M4K |