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. Author manuscript; available in PMC: 2020 Jul 31.
Published in final edited form as: Nature. 2020 Jun 17;583(7818):862–866. doi: 10.1038/s41586-020-2419-1

Extended Data Table 2. X-ray data collection and refinement statistics.


Formoterol-bound trx-β1AR–Nb80
PDB 6IBL
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

*

Outer resolution shell.