TABLE 1.
Data collection, phasing, and structure refinement statistics for H. pylori FlhAC
| Data collection statisticsa,b | Native (C2221) | SeMet |
||
|---|---|---|---|---|
| Peak | Inflection | Remote | ||
| Unit cell parameters (a, b, c) (Å) | 69.193, 136.20, 107.68 | 71.71, 132.8, 106.4 | 71.75, 132.9, 106.4 | 71.74, 132.9, 106.5 |
| Wavelength (Å) | 0.97934 | 0.97882 | 0.97907 | 0.98166 |
| Resolution (Å) | 50-2.4 (2.49-2.40) | 50-3.0 (3.11-3.00) | 50-3.0 (3.11-3.00) | 50-3.0 (3.11-3.00) |
| No. unique reflections | 20,380 (2005) | 19,692 (1935) | 19,715 (1946) | 19,662 (1952) |
| Redundancy | 7.3 (7.0) | 3.9 (3.8) | 3.9 (3.8) | 3.9 (3.9) |
| Completeness (%) | 99.9 (99.9) | 99.7 (98.0) | 99.7 (98.6) | 99.9 (99.9) |
| Mosaicity (°) | 0.540 | 0.62 | 0.49 | 0.63 |
| Average I/σ | 29.8 (3.7) | 25.2 (3.7) | 25.4 (3.6) | 22.0 (2.8) |
| Rmergec | 0.074 (.386) | 0.051 (0.34) | 0.050 (0.34) | 0.056 (0.46) |
a Values in parentheses correspond to the highest resolution shell.
b Data processing statistics calculated using Denzo/HKL2000 (37). The anomalous pairs F(+hkl) and F(−hkl) were not merged during data processing. Data were collected over 180° (180 frames). An identical orientation matrix was used for processing the three data sets.
c Rmerge = Σhkl Σi|〈I(hkl)obs〉 − I(hkl)obs,i|/Σhkl,i I(hkl)obs,I, where I(hkl)obs,i is the individual measurement of an hkl intensity and 〈I(hkl)obs〉 = Σi I(hkl)obs,i/N; where i = 1 to n individual reflections are measured.