Table 1. Data collection and refinement statistics.
| L-Gln bound | L-Ala bound | L-Arg bound | L-Glu bound | Gly bound | SeMet bound | |
|---|---|---|---|---|---|---|
| Data collection | ||||||
| Space group | P21 | P21 | P21 | P21 | P21 | P21 |
| Cell dimensions | ||||||
| a (Å) | 99.7 | 99.4 | 98.9 | 99.6 | 98.5 | 99.5 |
| b (Å) | 116.4 | 117.5 | 113.7 | 116.1 | 112.7 | 115.8 |
| c (Å) | 129.5 | 130.0 | 128.6 | 129.6 | 128.7 | 129.6 |
| β (°) | 92.2 | 91.9 | 92.2 | 91.7 | 92.2 | 91.9 |
| Resolution (Å) | 50.0–2.20 | 50.0–2.20 | 50.0–2.60 | 50.0–2.60 | 50.0–2.60 | 50.0–3.10 |
| Rsym (%)* | 7.8 (70.5) | 8.2 (58.0) | 12.5 (38.0) | 10.4 (50.0) | 9.1 (39.1) | 14.3 (47.7) |
| I/σ(I) * | 15.6 (2.1) | 18.7 (1.8) | 11.9 (2.1) | 12.2 (1.8) | 10.7 (1.8) | 12.3 (3.0) |
| Completeness (%)* | 97.1 (96.2) | 95.3 (97.1) | 95.9 (94.1) | 96.1 (95.9) | 98.0 (97.2) | 98.8 (99.3) |
| Redundancy* | 3.3 (3.0) | 3.5 (3.5) | 2.8 (2.3) | 3.1 (2.8) | 3.4 (3.0) | 5.5 (5.3) |
| Refinement | ||||||
| Resolution (Å) | 50–2.2 | 50–2.2 | 50–2.6 | 50–2.6 | 50–2.6 | |
| No. reflections | 142,729 | 144,159 | 84,554 | 86,084 | 84,790 | |
| R/Rfree (%) | 17.3/22.7 | 19.5/24.4 | 18.5/27.0 | 15.3/22.8 | 15.4/23.0 | |
| No. atoms | ||||||
| Protein | 20,320 | 20,577 | 20,366 | 20,218 | 20,467 | |
| Sugar | 378 | 322 | 364 | 389 | 361 | |
| Ligand | 40 | 24 | 64 | 40 | 20 | |
| Ion | 6 | 4 | 8 | 5 | 9 | |
| Water | 775 | 745 | 363 | 417 | 407 | |
| B-factors | ||||||
| Protein | 52.10 | 48.64 | 44.70 | 43.82 | 37.64 | |
| Sugar | 87.90 | 71.66 | 76.40 | 71.57 | 72.73 | |
| Ligand | 43.99 | 36.19 | 53.60 | 53.19 | 32.72 | |
| Ion | 60.43 | 38.56 | 53.93 | 72.99 | 39.74 | |
| Water | 47.57 | 44.47 | 37.13 | 38.47 | 36.51 | |
| R.m.s. deviations | ||||||
| Bond lengths (Å) | 0.009 | 0.008 | 0.011 | 0.009 | 0.012 | |
| Bond angles (°) | 1.158 | 1.100 | 1.224 | 1.208 | 1.236 | |
R.m.s., root mean square.
*Values in parentheses refer to data in the highest resolution shells.