Table 1.
X-ray data collection and refinement statistics of the Er-13 crystal structure. The overall values of different parameters are reported, with the values in the highest resolution shell given in parentheses.
| Parameter | Value |
|---|---|
| X-ray wavelength (Å) | 0,6198 |
| Resolution range (Å) | 39.12–1.363 (1.411–1.363) |
| Space group | P43 |
| Unit cell lattice parameters (Å / °) | 39.116, 39.116, 19.446 / 90°, 90°, 90° |
| Reflections | 85,988 (7819) |
| Unique reflections | 6477 (640) |
| Multiplicity | 13.3 (12.2) |
| Completeness | 1.00 (1.00) |
| Mean I/sigma(I) | 25.98 (2.92) |
| Wilson B-factor | 16,07 |
| R-merge | 0.05241 (0.8927) |
| R-meas | 0.05457 (0.9315) |
| CC1/2 | 1 (0.914) |
| CC* | 1 (0.977) |
| Reflections used in refinement | 6476 (639) |
| Reflections used for R-free | 648 (64) |
| R-work | 0.1522 (0.3158) |
| R-free | 0.1803 (0.3277) |
| CC (work) | 0.967 (0.861) |
| CC (free) | 0.926 (0.791) |
| Number of non-hydrogen atoms | 312 |
| macromolecules | 289 |
| Protein residues | 38 |
| RMS (bonds) | 0,018 |
| RMS (angles) | 1,85 |
| Ramachandran favored (%) | 97 |
| Ramachandran allowed (%) | 2,6 |
| Ramachandran outliers (%) | 0 |
| Rotamer outliers (%) | 0 |
| Clash score | 0 |
| Average B-factor | 12,77 |
| macromolecules | 11,32 |
| solvent | 30,96 |
| Number of TLS groups | 5 |