Table 1.
Data collection and refinement statistics (values in parentheses are for highest-resolution shell). See Table S4 for crystallization methods, conditions and data collection source and molecular replacement (MR) searching model.
| Protein name | LPBCA | LECA | AECA | LACA | LAFCA | LGPCA | LBCA |
|---|---|---|---|---|---|---|---|
| PDB identifier | 2YJ7 | 2YOI | 3ZIV | 2YNX | 2YPM | 2YN1 | 4BA7 |
|
| |||||||
| Data collection | |||||||
| Space Group | P 1 21 1 | C 1 2 1 | P 1 21 1 | P 1 | P 21 21 21 | P 1 21 1 | F 4 3 2 |
| Cell dimensions a, b, c (Å) | 55.1, 30.2, 59.0 | 58.4, 47.8, 73.8 | 37.6, 48.8, 91.1 | 32.2, 36.3, 48.1 | 37.5, 42.8, 55.9 | 36.1 62.9 42.9 | 192.7 |
| β (°) | 117.0 | 98.5 | 93.2 | 108.0 | 90.0 | 109.0 | 90.0 |
| ASU | 2 | 2 | 3 | 2 | 1 | 2 | 2 |
| Resolution (Å) * | 48.45 – 1.65 (1.74 – 1.65) | 36.6 – 1.30 (1.37 – 1.30) | 45.51 – 2.65 (2.74 – 2.65) | 45.32 – 1.75 (1.84 – 1.75) | 20.00 – 2.20 (2.28 – 2.20) | 34.09 – 1.30 (1.35 – 1.30) | 58.10 – 2.45 (2.53 – 2.45) |
| Rsym (%)* | 4.5 (34.1) | 4.7 (6.6) | 6.5 (59.9) | 10.5 (39.6) | 10.3 (48.7) | 5.6 (42.8) | 13.0 (93.4) |
| I/σI * | 20.10 (3.80) | 18.40 (7.90) | 16.21 (3.24) | 8.50 (2.70) | 23.26 (4.95) | 12.47 (2.68) | 12.92 (4.18) |
| Completeness (%)* | 99.8 (100.0) | 94.4 (89.8) | 97.8 (97.9) | 97.6 (88.7) | 99.0 (100.0) | 97.2 (97.7) | 99.9 (100.0) |
| Unique reflections* | 21198 (712) | 46574 | 9592 | 18887 | 4904 | 43308 | 11808 |
| Multiplicity* | 3.6 (3.7) | 2.0 (1.8) | 4.0 (4.0) | 1.0 (2.9) | 10.4 (10.7) | 2.8 (2.8) | 7.7 (8.0) |
| Refinement | |||||||
| Resolution (Å) | 48.45 – 1.65 | 36.6 – 1.30 | 45.51 – 2.65 | 45.32 – 1.75 | 20.00 – 2.20 | 34.09 – 1.30 | 58.10 – 2.45 |
| Rwork/Rfree (%) | 18.19/21.98 | 15.43/18.47 | 18.22/27.39 | 15.76/21.52 | 16.65/23.92 | 16.76/20.42 | 15.83/21.08 |
| No. atoms | 2117 | 4371 | 2390 | 3934 | 918 | 4121 | 3764 |
| Protein | 1852 | 1926 | 2382 | 1817 | 866 | 1825 | 1819 |
| Water | 264 | 433 | 8 | 184 | 52 | 357 | 69 |
| Ligands | 1 | 7 | 0 | 2 | 0 | 2 | 8 |
| Average B-factors (Å2) | 21.80 | 16.20 | 80.00 | 19.80 | 31.00 | 18.30 | 44.20 |
| R.m.s deviations | |||||||
| Bond lengths (Å) | 0.007 | 0.011 | 0.008 | 0.013 | 0.009 | 0.011 | 0.015 |
| Bond angles (°) | 0.97 | 1.29 | 1.15 | 1.39 | 1.09 | 1.35 | 1.48 |
| Ramachandran (%) | |||||||
| Favored | 100.0 | 98.0 | 96.0 | 98.0 | 99.0 | 99.0 | 100.0 |
| Outliers | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 |