Table 1.
Statistics for data collection and refinement.
| Data set | T82A-SEA/X5 | T82A-SEA/pNP-X2 |
|---|---|---|
| Data collection statistics | ||
| Space group | P212121 | P212121 |
| Unit cell (Å) | a = 75.1 | a = 78.2 |
| b = 94.0 | b = 94.0 | |
| c = 137.6 | c = 140.1 | |
| X-ray source | R-AXIS VII | AR-NW12A |
| Wavelength (Å) | 1.5418 | 1.0000 |
| Resolution (Å)* | 50–2.50 (2.59–2.50) | 50–1.80 (1.86–1.80) |
| Total reflections | 551,614 | 1,305,054 |
| Unique reflections | 34,484 (3,268) | 96,353 (9,237) |
| Completeness (%)* | 96.3 (97.2) | 98.4 (97.0) |
| Rmerge (%)* | 7.8 (29.9) | 6.3 (28.6) |
| I/σI * | 21.4 (5.8) | 32.6 (6.1) |
| Redundancy* | 4.1 (4.0) | 7.3 (6.9) |
| Refinement statistics | ||
| Resolution range (Å) | 39.16–2.50 | 40.09–1.80 |
| No. of reflections | 33,153 | 94,683 |
| R-factor/Rfree (%) | 17.9/24.9 | 17.5/19.7 |
| r.m.s.d. from ideal | ||
| Bond lengths (Å) | 0.005 | 0.005 |
| Bond angles (°) | 1.3 | 1.3 |
| Average B-factor (Å2) | ||
| All atoms | 30.2 | 18.5 |
| Protein (chains A/B) | 27.9/29.9 | 16.6/15.0 |
| Water atoms | 36.6 | 35.3 |
| Sugars (chain A/B) | 42.4/51.5 | 15.7/10.8 |
| Ramachandran plot (%) | ||
| Favored (chain A/B) | 87.5/87.7 | 89.9/89.9 |
| Allowed (chain A/B) | 12.5/12.3 | 10.1/10.1 |
| Disallowed (chain A/B) | 0.0/0.0 | 0.0/0.0 |
| PDB code | 5GQE | 5GQD |
*Values in parentheses are for the highest resolution shell.