Extended Data Table 2. Data collection and refinement statistics.
Highest resolution shell is shown in parentheses.
| Structure | Human DRD2 (ΔN/ΔICL3T4L/ΔC)-Risperidone complex |
|---|---|
|
| |
| Data Collection | APS, GMCA/CAT 23ID-B/D, 10 μm microfocus beam |
|
| |
| Crystals | 20 |
| Resolution range | 30.00 - 2.90 (2.99 - 2.90) |
| Space group | P212121 |
| Unit cell Dimensions a, b, c (Å) | 50.98 72.52 151.31 |
| Unique reflections | 12826 (889) |
| Multiplicity | 5.5 (2.5) |
| Completeness (%) | 97.3 (86.9) |
| Mean 1/σ(l) | 15.2 (1.0) |
| Rmerge (%) | 13.4 (73.8) |
| CC1/2(%) | 99.4 (53.5) |
|
Refinement Statistics | |
| Reflections used in refinement | 12826 (889) |
| Reflections used for R-free | 622 (40) |
| R-work (%) | 22.6 (37.4) |
| R-free (%) | 24.9 (34.1) |
|
Number of Atoms | |
| DRD2 | 1948 |
| T4L | 1176 |
| Risperidone | 30 |
| Lipid and other | 82 |
|
Overall B-factors (Å2) | |
| Receptor | 84.1 |
| T4L | 97 |
| Risperidone | 75.8 |
| Lipids, water, other | 86.8 |
|
Model Statistics | |
| RMSD-bonds (Å) | 0.004 |
| RMSD-angles (°) | 0.56 |
| Ramachandran favored (%)# | 97.36 |
| Ramachandran allowed (%)# | 2.64 |
| Ramachandran outliers (%)# | 000 |
| Rotamer outliers (%)# | 0.67 |
| Clashscore* | 399 |
*
Rmerge = Σhkl |I(hkl) − <I(hkl)>|/Σhkl(hkl), where <I(hkl)> is the mean of the symmetry equivalent reflections of I(hkl).
#
As defined in MolProbity.