Table 1.
X-ray data collection and refinement statistics
| MgtE TM with Ca2+ | |
|---|---|
| Data collection | |
| Wavelength (Å) | 1.000 |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 64.8, 70.3, 104.0 |
| α, β, γ (°) | 90.0, 90.0, 90.0 |
| Resolution (Å)a | 47.62–2.50 (2.65–2.50) |
| Rmergea | 0.448 (3.690) |
| I/σIa | 10.82 (1.02) |
| Completeness (%)a | 99.9 (100.0) |
| Redundancya | 35.3 (36.0) |
| CC1/2 (%)a | 99.5 (57.4) |
| Refinement | |
| Resolution (Å) | 2.5 |
| No. reflections | 16972 |
| Rwork/Rfree | 0.232/0.259 |
| No. atoms | |
| Protein | 2671 |
| Ligand/ion | 65 |
| Water | 91 |
| B-factors | |
| Protein | 69.21 |
| Ligand/ion | 82.96 |
| Water | 71.27 |
| R.m.s deviations | |
| Bond lengths (Å) | 0.005 |
| Bond angles (°) | 1.194 |
| Ramachandran plot | |
| Favored (%) | 100.0 |
| Allowed (%) | 0.0 |
| Outliers (%) | 0.0 |
a
Highest resolution shell is shown in parenthesis.