Table 1.
Statistics of data collection, phasing and refinement
| Se peak (SAD) | Se remote (refinement) | |
|---|---|---|
| Data collection | ||
| Space group | P212121 | P212121 |
| Cell dimensions a, b, c (Å) | 89.0, 95.0, 181.4 | 89.0, 95.0, 181.4 |
| Solvent content (%) | 56 | 56 |
| Wavelength (Å) | 0.979 | 0.970 |
| Unique reflections | 37 240 | 29 786 |
| Resolution range (Å) | 20–3.5 | 20–2.95 |
| Rsym (%) | 10.1 (26.0) | 11.2 (44.4) |
| I/σ(I) | 18.9 (7.7) | 9.7 (2.1) |
| Completeness (%) | 99.9 (99.5) | 90.2 (60.3) |
| Redundancy | 7.6 (7.0) | 4.6 (2.9) |
| Phasing | ||
| No. sites | 12 | |
| Mean FOM solve (12–3.8 Å) | 0.37 | |
| No copies in AU | 2 | |
| NCS correlation coefficient | 0.94 | |
| Mean FOM (resolve) (12–3.8 Å) | 0.78 | |
| Refinement | ||
| Resolution (Å) | 2.95 | |
| Rwork/Rfree (%) | 24.6/30.4 | |
| No residues/atoms | ||
| Clp1 | 856/6824 | |
| Pcf11 | 47/398 | |
| ATP | 2/60 | |
| Mg2+σ; | 2 | |
| Water | 147 | |
| B-factors (Å2) | ||
| Clp1 (chainA/B) | 57.1/46.4 | |
| Pcf11 (chainC/D) | 45.8/42.8 | |
| ATP | 41.3 | |
| Mg | 20.8 | |
| Water | 33.5 | |
| R.M.S.D | ||
| Bond lengths (Å) | 0.006 | |
| Bond angles (deg) | 1.113 | |