TABLE 1.
Data collection and refinement statistics
| BT2 + ADP | BT2 + AMPPNP | |
|---|---|---|
| Protein Data Bank code | 4E00 | 4E01 |
| Data collection | ||
| Space groupa | P42212 | P42212 |
| Cell dimensions | ||
| a, b (Å) | 128.06 | 127.28 |
| c (Å) | 73.78 | 73.99 |
| α, β, γ (degrees) | α = β = γ = 90° | α = β = γ = 90° |
| Resolution (Å) | 50-2.15 (2.19-2.15)b | 50-1.97 (2.00-1.97) |
| Rmerge | 6.4 (81.9) | 7.7 (93.7) |
| I/σI | 28.6 (3.2) | 20.5 (2.1) |
| Completeness (%) | 99.7 (100.0) | 99.6 (97.7) |
| Redundancy | 9.6 (9.4) | 9.8 (8.0) |
| Refinement | ||
| Resolution (Å) | 2.15 | 1.97 |
| No. of reflections | 34021 | 43743 |
| Rwork/Rfree (%) | 20.7/23.4 | 19.7/22.0 |
| No. of atoms | ||
| Protein | 2493 | 2486 |
| BT2 | 14 | 14 |
| Nucleotide | 27 | 31 |
| Mg2+ | 1 | 1 |
| K+ | 1 | 1 |
| Water | 71 | 118 |
| B-Factors | ||
| Protein | 59.2 | 51.1 |
| BT2 | 43.3 | 37.2 |
| Nucleotide | 49.8 | 34.8 |
| Mg2+ | 59.7 | 41.2 |
| K+ | 50.7 | 37.0 |
| Water | 50.8 | 48.5 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.008 | 0.007 |
| Bond angles (degrees) | 1.17 | 1.11 |
a One molecule/asymmetric unit, ∼70% solvent content.
b Values in parentheses are for the highest resolution shell.