Table 1 |.
X-ray diffraction data collection and model refinement statistics
| ΔNmBcs1-AMP-PNP (PDB 6U1Y) | FLmBcs1-ADP (PDB 6UKO) | |
|---|---|---|
|
| ||
| Data collection | ||
| Space group | P21 | C2 |
| Cell dimensions | ||
| a, b, c (Å) | 41.21, 207.5, 116.6 | 254.1, 161.1, 132.6 |
| α, β, γ (°) | 90.0, 95.98, 90.0 | 90.0, 107.3, 90.0 |
| Resolution (Å) | 37.29–2.17 (2.25–2.17)a | 50–4.4 (4.56–4.4) |
| Rmeas | 0.11 (0.95) | 0.09 (1.075) |
| I/σ(I) | 4.45 (1.03) | 8.94 (1.90) |
| CC 1/2 | 0.98 (0.50) | 0.80 (0.31) |
| Completeness (%) | 86.8 (78.3) | 99.2 (99.9) |
| Redundancy | 1.5 (1.4) | 6.0 (5.4) |
| Refinement | ||
| Resolution (Å) | 37.29–2.17 | 24.89–4.40 |
| No. reflections | 88,747 | 32,323 |
| Rwork/Rfree | 18.34/23.70 | 35.1/39.7 |
| No. atoms | ||
| Protein | 13,710 | 21,056 |
| Ligand/ion | 224 (7 AMP-PNP, 7 Mg2+) | 196 (7, ADP) |
| Water | 1,936 | 0 |
| B factors (Å2) | ||
| Protein | 43.79 | 260.61 |
| Ligand/ion | 30.12 | 258.34 |
| Water | 49.5 | - |
| r.m.s. deviations | ||
| Bond lengths (Å) | 0.014 | 0.004 |
| Bond angles (°) | 1.81 | 0.77 |
a
Values in parentheses are for highest-resolution shell.