Table 1.
Data collection and refinement statistics
| EcPltAB | EcPltA1 | |
|---|---|---|
| Data collection | ||
| Redox state | Oxidized | Reduced |
| Space group | P65 | P1 |
| Cell dimensions | ||
| a, b, c (Å) | 160.9, 160.9, 62.6 | 44.5, 55.7, 73.1 |
| α, β, γ (°) | 90.0, 90.0, 120.0 | 90.1, 104.1, 96.2 |
| Resolution (Å) | 49.4–2.35 (2.48–2.35) | 70.8–1.80 (1.90–1.80) |
| Rpima | 4.1 (35.6) | 6.6 (30) |
| I/σ1 | 12.1 (2.1) | 7.7 (2.6) |
| Completeness (%) | 99.9 (99.7) | 88.5 (87.7) |
| Total no. of observations | 326,219 (45274) | 91,849 (12898) |
| No. of unique observations | 38,825 (5619) | 55,479 (8027) |
| Multiplicity | 8.4 (8.1) | 1.7 (1.6) |
| Refinement statistics | ||
| Rfactor b (%) | 19.2 (30.0) | 18.1 (26.1) |
| Rfreec (%) | 25.5 (34.3) | 22.7 (31.6) |
| No. of atoms | ||
| Protein | 6380 | 5591 |
| Ligand | 1 (PO4) | 176 (4 NAD+, 2Na+) |
| Water | 64 | 598 |
| Ramachandran plot (%) | ||
| Most favored | 94.0 | 97.5 |
| Allowed region | 6.0 | 2.5 |
| Outlier | 0.0 | 0.0 |
| B-factors (Å2) | ||
| Protein | 68.1 | 16.2 |
| Root mean square deviation bonds (Å) | 0.011 | 0.010 |
| Root mean square deviation mangles (°) | 1.37 | 1.18 |
a Rp.i.m = Σhkl(1/(N − 1))1/2 Σi|Ihkl, i − 〈Ihkl〉|/Σhkl〈Ihkl〉.
b Rfactor = (Σ‖Fo| − |Fc‖)/(Σ|Fo|) for all data except as indicated in Footnote c.
c 5% of data was used for the Rfree calculation.