Table 1. XFEL data-collection statistics.
The names of the data sets contain the transient ligand followed by the ligand of interest. Alp, alprenolol; Tim, timolol; Cara, carazolol; Carv, carvedilol; ICI, ICI-118,551; Prop, propanolol; LUF, LUF5834; ZM, ZM241385; Ago, agomelatine; 2-PMT, 2-phenylmelatonin.
| Data set | XFEL | Data-collection time (min) | Total No. of images | No. of hits | Hit rate (%) | No. of indexed images | Indexing rate (%) | Resolution at CC* = 0.5† (Å) |
|---|---|---|---|---|---|---|---|---|
| β2AR–Alp-Alp | LCLS | 195 | 1405887 | 149024 | 10.6 | 39599 | 26.6 | 2.8 |
| β2AR–Alp-Tim | LCLS | 209 | 1503057 | 238986 | 15.9 | 59814 | 25.0 | 3.2 |
| β2AR–Alp-Cara | LCLS | 147 | 1061949 | 41416 | 3.9 | 9493 | 22.9 | 3.4 |
| β2AR–Tim-Alp | LCLS | 108 | 775070 | 99984 | 12.9 | 60694 | 60.7 | 2.4 |
| β2AR–Tim-Carv | SACLA | 33 | 59426 | 28465 | 47.9 | 14579 | 51.2 | 2.5 |
| β2AR–Tim-ICI | LCLS | 103 | 739335 | 116815 | 15.8 | 43660 | 37.4 | 2.6 |
| β2AR–Tim-Tim | LCLS | 128 | 918091 | 80792 | 8.8 | 17952 | 22.2 | 2.7 |
| β2AR–Tim-Prop | SACLA | 65 | 117972 | 8494 | 7.2 | 5201 | 61.2 | 2.9 |
| A2AAR–LUF-ZM | LCLS | 46 | 241932 | 68623 | 28.4 | 39281 | 57.2 | 1.85 |
| MT1–Ago-2-PMT | LCLS | 136 | 977748 | 87453 | 8.9 | 65260 | 74.6 | 3.3 |
†
The reported resolution may depend on the number of indexed patterns used for each data set.