TABLE 1.
Crystal data and refinement statistics
| Data collection | |
|---|---|
| Diffraction source | ALS BEAMLINE 8.2.2 |
| Wavelength (Å) | 0.999 |
| Resolution range (Å) | 47.11–2.1 (2.175–2.1) |
| Space group | P 1 21 1 |
| a, b, c (Å) | 51.7, 58.5, 53.5 |
| α, β, γ (°) | 90 118.28 90 |
| Total reflections | 32,773 (3,283) |
| Unique reflections | 16,526 (1653) |
| Multiplicity | 2.0 (2.0) |
| Completeness (%) | 98.79 (99.94) |
| Mean I/sigma(I) | 13.87 (4.62) |
| Wilson B-factor | 27.99 |
| R-merge | 0.0437 (0.155) |
| R-meas | 0.0618 (0.219) |
| R-pim | 0.0437 (0.155) |
| CC1/2 | 0.986 (0.95) |
| CC* | 0.997 (0.99) |
| Refinement | |
| Reflections used in refinement | 16,348 (1652) |
| Reflections used for R-free | 872 (56) |
| R-work (%) | 0.22 |
| R-free (%) | 0.26 |
| Number of non-hydrogen atoms | 1812 |
| Macromolecules | 1701 |
| Water | 111 |
| Protein residues | 225 |
| RMS(bonds) | 0.008 |
| RMS(angles) | 1.22 |
| Ramachandran favored (%) | 98.64 |
| Ramachandran allowed (%) | 1.36 |
| Ramachandran outliers (%) | 0.00 |
| Rotamer outliers (%) | 7.18 |
| Clash score | 4.30 |
| Average B-factor (Å2) | 31.66 |
| Macromolecules | 31.42 |
| Water | 35.27 |
| PDB ID | 6UVU |
Note: The numbers in parentheses are the data for the highest resolution shell.