Table 2.
Crystallography data collection and refinement statistics for Mtb EchA19
| Parameter | Valuea |
|---|---|
| Wavelength (Å) | 0.97934 |
| Resolution range (Å) | 37.71–1.915 (1.983–1.915) |
| Space group | P 3 2 1 |
| Unit cell | a = b = 75.413 Å, c = 68.89 Å, α = β = 90°, γ = 120° |
| Total reflections | 344811 (12826) |
| Unique reflections | 17862 (1755) |
| Multiplicity | 19.3 (14.8) |
| Completeness (%) | 99.88 (100.00) |
| Mean (I) (sigma) | 19.4 (2.4) |
| Wilson B-factor (Å2) | 35.94 |
| Rmerge | 0.078 (0.867) |
| Rmeas | 0.080 (0.898) |
| Rpim | 0.018 (0.231) |
| CC1/2 | 0.999 (0.931) |
| Reflections used in refinement | 17845 (1755) |
| Reflections used for Rfree | 861 (95) |
| Rwork | 0.1810 (0.2788) |
| Rfree | 0.2342 (0.3856) |
| Number of nonhydrogen atoms | 1825 |
| Macromolecules | 1748 |
| Ligands | 1 |
| Solvent | 76 |
| Protein residues | 237 |
| RMS (bonds) (Å) | 0.011 |
| RMS (angles) (deg) | 1.06 |
| Ramachandran favored (%) | 96.57 |
| Ramachandran allowed (%) | 2.58 |
| Ramachandran outliers (%) | 0.86 |
| Rotamer outliers (%) | 1.16 |
| Clashscore | 2.01 |
| Average B-factor Å2 | 56.23 |
| Macromolecules | 56.44 |
| Ligands | 40.65 |
| Solvent | 51.65 |
| Number of TLS groups | 4 |
| PDB ID | 6WYI |
a
Statistics for the highest-resolution shell are shown in parentheses.