Table 1.
Data collection and refinement statistics a
| YjjK/EttA | |
|---|---|
| Data collection | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 45.4, 233.5, 54.1 |
| α, β, γ (°) | 90.0, 91.3, 90.0 |
| Resolution (Å) | 50.0 – 2.4 (2.44 – 2.40) |
| Rsym | 14.3% (57.7%) |
| I / σI | 14.1 (2.0) |
| Completeness (%) | 93.7% (83.2%) for I > −σI |
| Redundancy | 6.5 (3.2) |
| Refinement | |
| Resolution (Å) | 50.0 – 2.40 (2.46 – 2.40) |
| No. reflections | 41106 (2328) |
| Rwork / Rfree | 18.3% (24.0%) / 24.3% (32.0%) |
| Model contents | |
| Residues in protomer A | 1–133, 140–281, 286–548 |
| Residues in protomer B | 3–131, 140–279, 283–540 |
| Organic ions and molecules | 1 citrate, 1 triethyleneglycol, 9 glycerol |
| Inorganic ions | 11 sulfates |
| No. atoms | 8904 |
| Protein | 8376 (23 alternate conformations) |
| Ligand/ion | 132 |
| Water | 396 |
| Ramachandran distribution | |
| Most favored | 98.3% |
| Additionally allowed | 1.7% |
| B-factors (Å2) | 35.3 (Wilson 27.69) |
| Protein | 35.3 |
| Ligand/ion | 50.7 |
| Water | 31.7 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 1.23 |
a
Data collection statistics correspond to a dataset derived from a single crystal as described in the text. Values in parentheses are for the highest-resolution shell. Data collection statistics come from SCALEPACK, while other statistics come from PHENIX.