Table 1. Crystallographic data collection and model refinement statistics.
Space group | C 1 2 1 |
Unit cell parameters a, b, c (Å) | 80.18, 71.82, 87.69 |
Unit cell parameters α, β, γ (°) | 90, 110.09, 90 |
Resolution (Å) | 50.0–2.02 (2.05–2.02)1 |
No. of reflections collected | 110034 |
No. of unique reflections | 29777 (1161) |
CC1/2 | 0.968 (0.838) |
CC* | 0.992 (0.955) |
Mean I/σI | 15.36 (1.71) |
Rpim | 0.063 (0.321) |
Completeness (%) | 96.2 (75.5) |
Redundancy | 3.7 (2.0) |
Rwork/ Rfree (%) | 21.84 / 27.19 (32.16 / 35.72) |
Number of protein atoms (non-hydrogen) | 3210 |
Number of solvent atoms (non-hydrogen) | 100 |
Average B value for protein atoms (Å2) | 69.71 |
Average B value for solvent atoms (Å2) | 50.66 |
RMSD bond lengths (Å) | 0.003 |
RMSD bond angles (º) | 0.690 |
Clashscore | 6.59 |
Ramachandran favored (%) | 91.9 |
Ramachandran outliers (%) | 1.7 |
1Values in parentheses correspond to the highest resolution shell.