Table 7.
Data Collection and Refinement Statisticsa
| wavelength | 0.979490 Å |
| resolution range | 42.86−1.55 (1.605−1.55) |
| space group | P212121 |
| unit cell | 52.09 54.11 75.44 90 90 90 |
| total reflections | 197971 (19739) |
| unique reflections | 31021 (1506) |
| multiplicity | 6.4 (6.6) |
| completeness (%) | 0.89 (0.48) |
| mean I/σ(I) | 15.21 (2.68) |
| Wilson B-factor | 14.31 |
| Rmerge | 0.05117 (0.4581) |
| Rmeas | 0.05583 (0.4973) |
| CC1/2 | 0.999 (0.935) |
| CC* | 1 (0.983) |
| reflections used in refinement | 28201 (1506) |
| reflections used for Rfree | 1420 (90) |
| Rwork | 0.2034 (0.2306) |
| Rfree | 0.2305 (0.2527) |
| CCwork | 0.942 (0.853) |
| CCfree | 0.927 (0.800) |
| no. of non-H atoms | 1766 |
| no. of macromolecules | 1634 |
| no. of ligands | 29 |
| no. of protein residues | 209 |
| RMS (bonds) | 0.014 |
| RMS (angles) | 1.23 |
| Ramachandran favored (%) | 98.52 |
| Ramachandran allowed (%) | 1.48 |
| Ramachandran outliers (%) | 0 |
| rotamer outliers (%) | 0.56 |
| clash score | 2.98 |
| average B-factor | 18.49 |
| macromolecules B-factor | 18.22 |
| ligands B-factor | 9.40 |
| solvent B-factor | 25.35 |
a
Statistics for the highest-resolution shell are shown in parentheses.