Table 2. Data-collection and processing statistics.
| SEPT3Gα0–GDP | SEPT3G–GMPPNP | SEPT9GC–GDP | SEPT9GC–GTPγS | SEPT12G–GMPPNP | SEPT12G–GMPPNP | SEPT12G–GDP | |
|---|---|---|---|---|---|---|---|
| Detector | PILATUS 6M | PILATUS 6M | ADSC Quantum 315r | ADSC Quantum 315r | PILATUS3 6M | PILATUS3 6M | PILATUS3 6M |
| Unit-cell parameters | |||||||
| a (Å) | 43.41 | 51.28 | 57.50 | 74.59 | 47.50 | 41.02 | 46.96 |
| b (Å) | 44.55 | 74.27 | 78.05 | 79.16 | 70.30 | 91.86 | 69.25 |
| c (Å) | 78.95 | 79.21 | 77.44 | 108.22 | 89.21 | 151.68 | 88.23 |
| α (°) | 99.29 | 90.00 | 90.0 | 90.0 | 74.59 | 490.0 | 75.45 |
| β (°) | 100.77 | 108.50 | 105.92 | 100.4 | 87.91 | 90.0 | 89.46 |
| γ (°) | 108.39 | 90.00 | 90.0 | 90.0 | 78.16 | 90.0 | 76.43 |
| Space group | P1 | C2 | P21 | P21 | P1 | C2221 | P1 |
| Resolution (Å) | 41.08–1.83 (1.88–1.83) | 75.12–1.86 (1.91–1.86) | 55.29–2.03 (2.16–2.03) | 50.00–2.89 (3.07–2.89) | 46.89–1.86 (1.91–1.86) | 45.93–2.12 (2.18–2.12) | 45.59–2.19 (2.25–2.19) |
| X-ray source | I02, DLS | I02, DLS | PROXIMA 1 | PROXIMA 1 | I24, DLS | I24, DLS | I24, DLS |
| Wavelength (Å) | 0.97949 | 0.97949 | 0.9801 | 0.9801 | 0.96861 | 0.96861 | 0.96861 |
| Multiplicity | 2.2 (2.1) | 3.6 (3.9) | 3.2 (3.1) | 3.2 (3.1) | 1.9 (2.0) | 5.3 (5.4) | 3.4 (3.5) |
| R merge (%) | 8.7 (24.8) | 5.5 (60.1) | 3.3 (87.5) | 3.2 (78.9) | — | — | — |
| R p.i.m. (%) | 6.2 (36.5) | 3.8 (39.3) | — | — | 6.7 (59.2) | 6.3 (48.0) | 6.8 (60.7) |
| CC1/2 | 0.993 (0.733) | 0.998 (0.715) | 0.998 (0.694) | 0.995 (0.814) | 0.992 (0.572) | 0.994 (0.540) | 0.995 (0.562) |
| Completeness (%) | 96.5 (94.4) | 98.9 (99.7) | 99.0 (97.4) | 97.6 (95.2) | 96.4 (95.2) | 99.5 (99.5) | 96.7 (96.3) |
| Reflections | 98195 (6766) | 85451 (6756) | 131992 (20750) | 85974 (13284) | 170413 (12630) | 88807 (6492) | 179493 (13725) |
| Unique reflections | 45613 (3289) | 23470 (1745) | 41929 (6631) | 27279 (4266) | 88175 (6451) | 16639 (1194) | 52030 (3910) |
| 〈I/σ(I)〉 | 5.4 (1.6) | 10.7 (2.3) | 11.20 (1.99) | 8.57 (1.90) | 5.7 (1.4) | 7.9 (1.7) | 6.9 (1.3) |
| Reflections used for refinement | 45091 | 23469 | 41903 | 27181 | 86997 | 16613 | 52022 |
| R (%) | 17.16 | 17.92 | 18.33 | 25.22 | 19.21 | 20.00 | 18.43 |
| R free (%) | 20.19 | 21.58 | 22.75 | 29.74 | 23.30 | 24.84 | 22.86 |
| No. of protein atoms | 4341 | 2009 | 4183 | 7117 | 8709 | 2158 | 8643 |
| No. of ligand atoms | 56 | 32 | 58 | 133 | 132 | 33 | 116 |
| B (Å2) | 27.20 | 29.97 | 42.99 | 61.23 | 20.69 | 38.63 | 42.2 |
| Coordinate error (Å) | 0.21 | 0.20 | 0.25 | 0.40 | 0.25 | 0.29 | 0.31 |
| Phase error (°) | 22.95 | 22.69 | 24.40 | 37.14 | 27.26 | 25.60 | 28.39 |
| Ramachandran plot | |||||||
| Favoured (%) | 97.57 | 96.75 | 97.68 | 95.92 | 97.61 | 98.12 | 97.12 |
| Allowed (%) | 2.43 | 2.85 | 2.32 | 4.08 | 2.29 | 1.88 | 2.79 |
| Outliers (%) | 0.00 | 0.41 | 0.00 | 0.00 | 0.10 | 0.00 | 0.10 |
| All-atom clashscore | 3.34 | 2.5 | 3.23 | 5.14 | 3.02 | 0.94 | 3.52 |
| R.m.s.d. from ideal geometry | |||||||
| Bond lengths (Å) | 0.008 | 0.004 | 0.004 | 0.002 | 0.002 | 0.002 | 0.005 |
| Bond angles (°) | 1.058 | 0.821 | 0.735 | 0.594 | 0.571 | 0.477 | 0.798 |
| PDB code | 4z54 | 4z51 | 5cyo | 5cyp | 6mq9 | 6mqb | 6mqk |