Table 1. X-ray diffraction data-collection and refinement statistics for mJuniper.
Values in parentheses are for the highest resolution shell.
| Wavelength | 0.9677 |
| Resolution range | 41.54–1.623 (1.68–1.62) |
| Space group | P212121 |
| a, b, c (Å) | 51.588, 61.034, 70.049 |
| α, β, γ (°) | 90, 90, 90 |
| Total reflections | 258729 (26051) |
| Unique reflections | 28600 (1359) |
| Multiplicity | 9.0 (9.4) |
| Completeness (%) | 99.66 (97.1) |
| Mean I/σ(I) | 7.7 (1.0) |
| Wilson B factor (Å2) | 22.83 |
| R merge | 0.157 (1.763) |
| R meas | 0.168 (1.935) |
| R p.i.m. | 0.079 (0.889) |
| CC1/2 | 0.991 (0.587) |
| CC* | 0.996 (0.802) |
| No. of reflections, working set | 27199 (2673) |
| No. of reflections, test set | 1341 (111) |
| R work | 0.165 (0.253) |
| R free | 0.192 (0.284) |
| No. of non-H atoms | |
| Total | 2055 |
| Macromolecules | 1792 |
| Ligands | 48 |
| Solvent | 215 |
| Protein residues | 225 |
| R.m.s.d., bond lengths (Å) | 0.008 |
| R.m.s.d., angles (°) | 0.95 |
| Ramachandran favoured (%) | 98.19 |
| Ramachandran allowed (%) | 1.81 |
| Ramachandran outliers (%) | 0.00 |
| Rotamer outliers (%) | 0.51 |
| Clashscore | 1.37 |
| Average B factor (Å2) | |
| Overall | 28.75 |
| Macromolecules | 28.04 |
| Ligands | 18.87 |
| Solvent | 36.92 |