Table 1.
Crystallographic data collection and refinement statistics
| EspP N1023A | EspP N1023D | EspP N1023S | |
|---|---|---|---|
| Data collection | |||
| Space group | P212121 | P212121 | P212121 |
| Cell dimensions | |||
| a, b, c (Å) | 31.1, 122, 124 | 31.1, 122, 123 | 31.2, 122, 122 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 50.0 - 2.48 | 50.0 - 2.52 | 50.0 - 2.47 |
| Rmerge | 0.087 (0.618) | 0.076 (0.570) | 0.079 (0.590) |
| I/σI | 16.7 (2.86) | 16.6 (1.97) | 18.6 (2.48) |
| Completeness (%) | 99.4 (100) | 98.6 (95.6) | 98.9 (97.9) |
| Redundancy | 4.8 (4.8) | 4.5 (3.9) | 5.4 (4.9) |
| Refinement | |||
| Resolution (Å) | 43.4 - 2.48 | 30.4 - 2.52 | 30.6–2.46 |
| No. of reflections | 17443 | 16442 | 17404 |
| Rwork/Rfree | 0.199/0.237 | 0.208/0.258 | 0.212/0.266 |
| Number of nonhydrogen atoms | |||
| Protein | 2318 | 2307 | 2322 |
| Water | 55 | 50 | 45 |
| B-factors | |||
| Protein | 44.9 | 39.6 | 38.5 |
| Water | 43.5 | 41.4 | 40.3 |
| r.m.s. deviations | |||
| Bond lengths (Å) | 0.007 | 0.019 | 0.0187 |
| Bond angles (°) | 1.063 | 1.82 | 1.82 |
| Ramachandran plot (%) a | |||
| outliers | 0.00 | 0.00 | 0.00 |
| favored | 98.0 | 96.7 | 97.7 |
a
Percentages were generated by MolProbity (http://molprobity.biochem.duke.edu/)