Table 1.
Data collection and refinement statisticsa
| Data collection and refinement parameters | ATL1 N417ins |
|---|---|
| Wavelength | 0.9686 |
| Resolution range | 46–1.9 (1.97–1.90) |
| Space group | P 21 21 21 |
| Unit cell | 49.1 115.0 184.0 90 90 90 |
| Total reflections | 604,079 (52,441) |
| Unique reflections | 82,941 (8042) |
| Multiplicity | 7.3 (6.5) |
| Completeness (%) | 99.75 (97.83) |
| Mean I/sigma(I) | 8.79 (1.00) |
| Wilson B-factor | 21.59 |
| R-merge | 0.2319 (1.691) |
| R-meas | 0.2496 (1.835) |
| R-pim | 0.09145 (0.6986) |
| CC1/2 | 0.992 (0.335) |
| CCa | 0.998 (0.708) |
| Reflections used in refinement | 82,909 (8019) |
| Reflections used for R-free | 2000 (194) |
| R-work | 0.1734 (0.3049) |
| R-free | 0.2201 (0.3070) |
| CC (work) | 0.966 (0.673) |
| CC (free) | 0.953 (0.754) |
| Number of non-hydrogen atoms | 7860 |
| macromolecules | 6901 |
| ligands | 12 |
| solvent | 947 |
| Protein residues | 847 |
| RMS (bonds) | 0.007 |
| RMS (angles) | 0.86 |
| Ramachandran favored (%) | 98.70 |
| Ramachandran allowed (%) | 1.30 |
| Ramachandran outliers (%) | 0.00 |
| Rotamer outliers (%) | 1.33 |
| Clashscore | 3.42 |
| Average B-factor | 24.66 |
| macromolecules | 23.81 |
| ligands | 14.39 |
| solvent | 31.52 |
| Number of TLS groups | 6 |
a
Statistics for the highest-resolution shell are shown in parentheses.