Extended Data Table 1.
Data collection and refinement statistics
| ScACC holoenzyme |
ScACC (unbiotinylated) |
AC1–2 | AC3–5 | BT-BCCP-AC1–5 | |
|---|---|---|---|---|---|
| Data collection | |||||
| Space group | P43212 | P43212 | P65 | P21 | P21 |
| Cell dimensions | |||||
| a, b, c (Å) | 159.8, 159.8, 614.1 | 159.9, 159.9, 615.5 | 117.6, 117.6, 73.8 | 56.8, 93.3, 111.1 | 93.3, 149.7, 95.4 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 120 | 90, 100.6, 90 | 90, 118.4, 90 |
| Resolution (Å) | 50–3.2 (3.3–3.2)* | 50–3.1 (3.2–3.1) | 50–2.5 (2.6–2.5) | 50–3.2 (3.3–3.2) | 50–3.0 (3.1–3.0) |
| Rmerge | 14.8 (90.1) | 10.9 (88.1) | 7.1 (41.6) | 7.5 (40.5) | 8.8 (44.9) |
| CC1/2 | (0.448) | (0.452) | (0.965) | (0.848) | |
| I/σI | 7.0 (1.0) | 8.2 (1.1) | 18.6 (2.6) | 21.9 (5.1) | 13.7 (2.9) |
| Completeness (%) | 98 (87) | 93 (90) | 100 (99) | 100 (100) | 99 (100) |
| Redundancy | 3.0 (2.7) | 2.3 (2.3) | 4.2 (3.6) | 7.6 (7.6) | 3.4 (3.4) |
| Refinement | |||||
| Resolution (Å) | 50–3.2 | 50–3.1 | 50–2.5 | 50–3.2 | 50–3.0 |
| No. reflections | 122,246 | 129,166 | 19,205 | 18,134 | 42,803 |
| Rwork/Rfree | 21.9 / 26.6 | 21.7 / 28.1 | 21.4 / 26.9 | 23.8 / 28.6 | 23.0 / 28.9 |
| No. atoms | |||||
| Protein | 32,651 | 31,816 | 3,370 | 6,353 | 13,699 |
| Ligand/ion | 126 | 0 | 0 | 0 | 0 |
| Water | 0 | 0 | 45 | 0 | 0 |
| B-factors | |||||
| Protein | 96.8 | 93.2 | 79.2 | 87.9 | 74.9 |
| Ligand/ion | 106.2 | – | – | – | – |
| Water | – | – | 61.0 | – | – |
| R.m.s deviations | |||||
| Bond lengths (Å) | 0.011 | 0.011 | 0.012 | 0.011 | 0.010 |
| Bond angles (°) | 1.5 | 1.5 | 1.4 | 1.5 | 1.3 |
One crystal was used for data collection.
*
Highest resolution shell is shown in parenthesis.