A2A-StaR2-b RIL562 with AZD4635 | |
Data collection | |
Number of crystals | 3 |
Space group | C2221 |
Cell dimensions | |
a, b, c (Å) | 39.55, 179.71, 140.77 |
α, β, γ (°) | 90.00, 90.00, 90.00 |
Resolution (Å) | 33.86–2.00 (2.05–2.00) |
R sym or R merge | 0.111 (0.994) |
I / σI | 7.4 (1.35) |
Completeness (%) | 97.9 (97.0) |
Redundancy | 3.1 (3.0) |
Refinement | |
Resolution (Å) | 2.00 |
No. reflections | 33 848 |
R work/R free | 0.182/0.201 |
No. atoms | |
Protein | 3165 |
Ligand | 22 |
Na | 1 |
Cholesterol | 82 |
Lipids | 404 |
Water | 136 |
Other | |
B-factors | |
Protein | 38.83 |
Ligand | 22.50 |
Na | 44.22 |
Cholesterol | 36.90 |
Lipids | 65.04 |
Water | 44.39 |
Other | |
R.m.s. deviations | |
Bond lengths (Å) | 0.003 |
Bond angles (°) | 0.980 |
Ramachandran plot statistics (%) | |
Favored regions | 99.5 |
Allowed regions | 0.5 |
Disallowed regions | 0 |
*Values in parentheses are for highest-resolution shell.