Table 2.
Crystal Parameters: | ||
Space group | P21 | |
Unit-cell at 100 K [Å] | 39.5, 71.2, 95.0 | 90.0°, 90.1°, 90.0° |
Data quality: | ||
Resolution [Å] | 20–2.8 (2.85–2.80) | |
No. of measured reflections | 88422 (3992) | |
No. of unique reflections | 24561 (1174) | |
Rsym [%] | 4.9 (12.2) | (I ≥ −3σ1 for observations) |
Mean redundancy | 3.6 (3.4) | |
Completeness [%] | 98.6 (95.5) | (All measured reflections) |
88.6 (83.9) | (I ≥ 2σ1) | |
Mean I/σI | 35.4 (9.2) | (I ≥ σ1 after merging) |
Refinement residuals (F≥2σF): | ||
Rfree [%] | 33.8 | |
Rwork [%] | 28.5 | |
Model quality: | ||
RMSD bond lengths [Å] | 0.017 | |
RMSD bond angles | 2.4 ° | |
Ramachandran plot summary [%] | ||
most favored regions | 86.6 | |
allowed regions | 12.2 | |
generously allowed regions | 1.2 | |
Average B factors (Å2): | ||
All | 43.3 | |
Main chain | 33.7 | |
Side chain | 35.2 | |
Waters | 45.8 | |
Model contents: | ||
Protein residues | 4×103 | |
Water molecules | 560 |