Table I.
Apo-CATI | CATI-CAM | |
---|---|---|
Data collection | ||
Space group | P21 | P1 |
Number of trimers per asymmetric unit | 3 | 6 |
Unit cell dimensions | ||
a, b, c (Å) | 115.2, 102.7, 114.1 | 107.5, 114.5, 114.5 |
α, β, γ (°) | 90, 119.9, 90 | 119.9, 97.8, 98.7 |
Resolution (Å) | 50.0–3.2 (3.3–3.2)a | 50.0–2.9 (3.0–2.9)a |
I/σ | 9.3 (2.1) | 14.3 (2.3) |
Completeness (%) | 98.4 (86.1) | 87.3 (85.0) |
Redundancy | 4.3 (3.5) | 1.7 (1.7) |
Rmerge | 0.15 (0.476) | 0.06 (0.38) |
Number of unique reflections | 35,818 | 82,522 |
Structure refinement statistics | ||
Resolution (Å) | 40.0–3.2 | 35.0–2.9 |
R (%) | 23.8 | 24.0 |
Rfree (%) | 30.1 | 30.9 |
Bond length deviation (RMSD) from ideal (Å) | 0.009 | 0.006 |
Bond angle deviation (RMSD) from ideal (°) | 1.08 | 0.907 |
Ramachadran plot statisticsb | ||
% of residues in most allowed regions | 84.9 | 88.7 |
% of residues in additional allowed regions | 12.9 | 10.5 |
% of residues in generously allowed regions | 2.3 | 0.8 |
% of residues in disallowed regions | 0 (0 residues) | 0 (0 residues) |
Numbers in parentheses indicate the values in the highest-resolution shell.
Indicates Procheck statistics.36