Extended Data Table 2. X-ray data collection and refinement statistics.
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Formoterol-bound trx-β1AR–Nb80 PDB 6IBL |
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Data statistics | |
Number of crystals | 1 |
Space group | P 21 21 21 |
Cell dimensions a, b, c (Å) | 116.6, 121.1, 129.8 |
Resolution range (Å) | 44.28-2.7 (2.79-2.7)* |
Unique reflections | 50,611 (4,416)* |
Completeness before truncation (%) | 99.0 (95.3)* |
Multiplicity | 4.6 (4.7)* |
Mean |/σ| | 6.6 (1.7)* |
Rmerge | 0.151 (0.936)* |
CC1/2=0.3 h, k, I axes & overall (Å) | 2.7, 3.62, 3.43, 2.92 |
Refinement statistics | |
Resolution (Å) | 88.6-2.7 (2.78-2.7)* |
Completeness, truncated data (%) | 62.71 (2.78) |
No. of reflections | 30,378 |
Rwork/Rfree (%) | 0.242/0.276 (0.323/0.348)* |
No. of atoms | 8,271 |
Protein | 7,984 |
Ligands & detergents | 258 |
Water | 29 |
B-factors (Å2) | |
Protein | 70.2 |
Ligand & detergents | 57.9, 73.8 |
Waters | 38.5 |
R.M.S.D. | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.17 |
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Outer resolution shell.