TABLE 4.
Data collection and refinement statistics
| Parameter | Result(s) for selenomethionine-substituted ETFGma |
|---|---|
| Beamline | ID29 at ESRF (Grenoble, France) |
| Detector | Pilatus 6M |
| Detection wavelength (Å) | 0.97939 |
| Resolution range (Å) | 43.74–1.7 (1.761–1.700) |
| Space group | P212121 |
| Unit cell | |
| Distances (Å) | 54.73, 72.75, 133.88 |
| Angles (°) | 90, 90, 90 |
| Total no. of reflections | 744,382 (71,000) |
| No. of unique reflections | 59,428 (5,846) |
| Multiplicity | 12.5 (12.1) |
| Completeness (%) | 99.65 (99.40) |
| Mean I/sigma(I) ratio | 19.85 (4.25) |
| Wilson B factor (Å2) | 17.48 |
| Rmerge | 0.09647 (0.5937) |
| Rmeas | 0.1006 |
| CC1/2 | 0.999 (0.926) |
| CC* | 1.000 (0.981) |
| Rwork | 0.1319 (0.1728) |
| Rfree | 0.1667 (0.2273) |
| No. of nonhydrogen atoms | 4,921 |
| Macromolecules | 4,149 |
| Ligands | 53 |
| Water | 719 |
| No. of protein residues | 545 |
| Root mean square | |
| Bond (Å) | 0.015 |
| Angle (°) | 1.57 |
| Ramachandran favored (%) | 99 |
| Ramachandran outliers (%) | 0 |
| Average B factor (Å2) | 23.70 |
| Macromolecules | 21.60 |
| Ligands | 12.70 |
| Water | 36.70 |
a
Statistics for the highest-resolution shell are shown in parentheses.