Table 1. Data collection and refinement statistics.
Data Collection a | |
Space group | P6422 |
Cell dimensions | |
a, b, c (Å) | 135.45, 135.45, 153.65 |
α, β, γ (°) | 90, 90, 120 |
Resolution (Å) | 50.00-2.75 (2.80-2.75)b |
Total reflections | 156642 |
Unique reflections | 22247 |
No. reflections used | 22206 |
R merge (%) | 5.9 (47.3) |
I/σ (I) | 30.0 (4.6) |
Completeness (%) | 99.8 (100) |
Redundancy | 7.0 (7.3) |
Refinement statistics | |
Resolution (Å) | 34.85-2.75 (2.87-2.75) |
R work/R free (%) | 20.2/23.2 (30.97/38.73) |
No. Atoms | |
Protein | 2719 |
Water | 39 |
B-factors | |
Protein | 74.76 |
Water | 57.32 |
Rmsd Bond lengths (Å) | 0.008 |
Rmsd Bond Angles (°) | 1.110 |
Ramachandran plot statistics | |
Most favored (%) | 91.1 |
Additionally allowed (%) | 8.9 |
Generously allowed (%) | 0.0 |
Disallowed (%) | 0.0 |
All data sets were collected from a single crystal.
Values in the parentheses are for the highest-resolution shell.