Table S2.
Data collection and refinement statistics
| Data collection | SeMet BtParM (peak) | Native BtParM | BtParM-M1 (ADP) | BtParM-M1 (ATP) | BtParM-M1 (AMPPNP) | BtParM-Mf (ADP) |
| PDB ID code | 4XE7 | 4XE8 | 4XHO | 4XHN | 4XHP | |
| Space group | P21 | P21 | P22121 | P22121 | P22121 | P21 |
| Unit cell dimensions | ||||||
| a, b, c, Å | 49.3, 116.4, 52.3 | 49.2, 116.4, 52.2 | 55.7, 73.0, 114.3 | 55.8, 73.2, 113.7 | 55.4, 71.4, 114.1 | 55.3, 97.3, 87.9 |
| α, β, γ, ° | 90.0, 115.7, 90.0 | 90.0, 115.7, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 98.8 90.0 |
| Resolution, Å | 38.8–2.2 | 50.0–2.0 | 20.0–2.38 | 30.0–2.65 | 20.0–2.6 | 30.0–3.2 |
| Rsym (%)* | 9.8 (33.8) | 9.6 (31.7) | 4.6 (42.0) | 5.7 (49.5) | 3.9 (37.7) | 6.2 (31.3) |
| <I/σ(I)>* | 10.7 (4.3) | 27.4 (3.1) | 38.6 (3.5) | 31.0 (4.1) | 49.0 (4.1) | 16.0 (2.5) |
| Completeness (%)* | 98.3 (98.2) | 94.7 (74.7) | 99.1 (86.6) | 100.0 (100.0) | 99.4 (90.6) | 97.5 (96.1) |
| Multiplicity | 6.1 (5.8) | 4.0 (3.7) | 6.9 (5.9) | 7.1 (7.2) | 6.9 (6.3) | 3.1 (2.7) |
| Anomalous completeness (%)* | 96.3 (95.3) | |||||
| Anomalous multiplicity* | 3.1 (3.0) | |||||
| Refinement | ||||||
| Resolution, Å | 25.3–2.0 | 20.0–2.38 | 28.8–2.65 | 20.0–2.6 | 27.8–3.2 | |
| No of reflections | 65,362 | 19,682 | 13,613 | 13,037 | 12,760 | |
| Rwork /Rfree, % | 18.6/23.3 | 21.9/27.5 | 20.3/27.1 | 20.9/27.2 | 22.9/28.7 | |
| No. atoms | ||||||
| Protein | 3,309 | 2,813 | 2,897 | 2,812 | 5,679 | |
| Ligand/ion | — | 28 | 32 | 32 | 56 | |
| Water | 330 | 133 | 132 | 83 | — | |
| Mean B-factors, Å | 37.6 | 39.1 | 36.5 | 39.5 | 63.3 | |
| Rmsd | ||||||
| Bond lengths, Å | 0.008 | 0.002 | 0.011 | 0.003 | 0.006 | |
| Bond angles, ° | 1.15 | 0.73 | 1.59 | 0.82 | 1.31 | |
| Ramachandran plot | ||||||
| Favored, % | 96.64 | 96.82 | 92.72 | 94.22 | 89.24 | |
| Allowed, % | 3.36 | 3.18 | 7.28 | 5.78 | 9.76 | |
| Disallowed, % | 0 | 0 | 0 | 0 | 1.00 |
*
Values in parentheses are for the highest-resolution shell.