TABLE 4.
Data collection and refinement statistics
| β1AR–7-Methylcyanopindolol | |
|---|---|
| Number of crystals | 4 |
| Space group | P21221 |
| Unit cell parameters | |
| a, b, and c (Å) | 53.0, 61.8, 95.5 |
| α, β, and γ (°) | 90, 90, 90 |
| Data processing | |
| Resolution (Å) | 37.8–2.4 |
| Rmergea | 0.161 (0.704) |
| < I/σ(I) >a | 8.2 (1.9) |
| Completeness (%)a | 98.4 (98.3) |
| Multiplicitya | 4.8 (4.9) |
| Wilson B factor (Å2) | 27.7 |
| Refinement | |
| Total number of reflections | 11,942 |
| Total number of atoms | 2436 |
| Number of waters | 26 |
| Number of lipid molecules | 5 |
| Number of sodium ions | 2 |
| Rworkb,d | 0.217 (0.294) |
| Rfreec,d | 0.248 (0.285) |
| RMSD bonds (Å) | 0.007 |
| RMSD angles (o) | 1.29 |
| Mean atomic B factor (Å2) | 39.35 |
| Estimated coordinate error (Å) | 0.223 |
| Ramachandran plot favored (%)e | 98.94 |
| Ramachandran plot outliers (%)e | 0 |
a
The values in parentheses are for the highest resolution bin (2.53–2.4 Å).
b
The number of reflections used to calculate Rwork is 11,942.
c
The number of reflections from a randomly selected subset used to calculate Rfree is 602.
d
The values in parentheses are for the highest resolution bin for refinement (2.46–2.4 Å)
e
The figures were obtained using MolProbity.