Table 1.
Data collection and refinement statistics
| SeMet-GGT (remote) | SeMeT-GGT (edge) | SeMeT-GGT (peak) | GGT-γG | GGT-Glu | |
|---|---|---|---|---|---|
| Data collection | |||||
| Unit cell a, b, and c, Å | 78.7, 126.9, 128.8 | 78.8, 126.7, 128.9 | 77.7, 126.5, 129.2 | ||
| Wavelength, Å | 0.98214 | 0.97931 | 0.97902 | 1.0000 | 1.0000/0.9000 |
| Resolution range, Å | 50–1.95 | 50–1.95 | 50–1.95 | 50–1.80 | 50–1.68 |
| No. of measurements | 1,152,158 | 1,112,378 | 895,433 | 961,007 | 829,979 |
| No. of unique reflections* | 94,722 | 181,389 | 180,401 | 120,057 | 144,777 |
| Redundancy*† | 12.2 (12.0) | 6.1 (6.0) | 5.0 (4.9) | 8.0 (8.0) | 5.7 (3.2) |
| Completeness,*† % | 100.0 (100.0) | 100.0 (99.9) | 99.4 (99.4) | 100.0 (100.0) | 99.8 (99.7) |
| Rsym,*†‡ % | 5.9 (36.9) | 6.2 (35.1) | 7.0 (36.5) | 6.3 (34.8) | 11.2 (33.6) |
| Refinement | |||||
| Resolution range, Å | 50–1.95 | 50–1.80 | 50–1.70 | ||
| No. of water/glycerol molecules | 605/0 | 896/4 | 790/1 | ||
| No. of Ca2+ ions | 0 | 0 | 2 | ||
| No. of ligand atoms | 0 | 18 | 20 | ||
| Rwork/Rfree,§ % | 20.7/23.1 | 18.0/20.0 | 19.4/21.2 | ||
| rms deviations from ideal values | |||||
| Bond length, Å | 0.005 | 0.005 | 0.007 | ||
| Bond angles, ° | 1.3 | 1.3 | 2.2 | ||
| Ramachandran plot | |||||
| Most favored regions, % | 90.1 | 90.7 | 90.5 | ||
| Additional allowed regions, % | 9.4 | 8.8 | 9.0 | ||
| Disallowed regions,¶ % | 0.5 | 0.5 | 0.5 |
*The intensities of Bijvoet pairs were treated independently for the edge and the peak data of SeMet-GGT.
†The value in parentheses are for the highest resolution shell.
‡Rsym = Σhki Σi|Ii(hkl) − 〈I(hkl)〉|/Σhkl ΣiIi(hkl).
§R = Σ|Fobs(hkl) − Fcalc(hkl)|/Σ|Fobs(hkl)|. Rfree is the R value calculated for 5% of the data set not included in the refinement.
¶Asn-411 and Trp-518 in the two crystallographically independent molecules.