TABLE 1.
X-ray crystallography data
| Rv2466c-His | |
|---|---|
| Beamline | I04 (DLS) |
| Wavelength (Å) | 0.953700 |
| Resolution range (Å) | 40.26—1.507 (1.561—1.507) |
| Space group | P 21 |
| Unit cell | 40.649 46.814 104.308 90 97.97 90 |
| Total reflections | 249,842 (19424) |
| Unique reflections | 60,540 (5200) |
| Multiplicity | 4.1 (3.7) |
| Completeness (%) | 98.29 (85.07) |
| Mean I/σ(I) | 10.47 (2.11) |
| Wilson B-factor | 11.86 |
| Rsym | 0.09497 (0.6503) |
| R-factor | 0.1314 (0.1958) |
| R-free | 0.1762 (0.2530) |
| Number of non-H atoms | 3861 |
| Macromolecules | 3415 |
| Ligands | 1 |
| Water | 426 |
| Protein residues | 419 |
| R.m.s. (bonds) | 0.009 |
| R.m.s. (angles) | 1.15 |
| Ramach. favored (%) | 100 |
| Ramach. outliers (%) | 0 |
| Clashscore | 3.00 |
| Average B-factor | 19.40 |
| Macromolecules | 17.70 |
| Ligands | 38.30 |
| Solvent | 32.00 |