Table 5.
Data collection and refinement statistics.
| Structure | OMP100 | A6 | A7 | A9 | A9b black | A9b grey | T6 | T96 | T99 | Tcar0761 |
|---|---|---|---|---|---|---|---|---|---|---|
| Beamline/Detector* | PXII / M | PXII / M | PXII / M | PXIII / M | PXII / P | PXII / P | PXII / P | PXII / M | PXIII / M | PXII / P |
| Wavelength (Å) | 0.9786 | 1.0 | 1.0 | 1.0 | 1.0 | 1.0 | 1.0 | 1.0 | 1.0 | 1.0 |
| Trimers/AU | 1 | 1 | 1/3 | 1 | 1 | 2 | 1 | 1 | 1 | 1/3 |
| Space group | C2** | C2** | P321 | P21 | P21 | P21 | P21 | P21 | C2** | P63 |
| a (Å) | 62.1 | 60.4 | 38.2 | 65.2 | 26.2 | 71.1 | 34.2 | 25.1 | 60.8 | 37.9 |
| b (Å) | 35.9 | 34.8 | 38.2 | 34.6 | 37.5 | 35.0 | 27.0 | 38.3 | 35.1 | 37.9 |
| c (Å) | 198.5 | 104.2 | 87.1 | 67.5 | 95.0 | 106.2 | 101.0 | 105.0 | 112.2 | 179.2 |
| β (°) | 96.0 | 101.1 | 90 | 117.7 | 92.6 | 101.7 | 93.9 | 93.3 | 100.4 | 90 |
| Resolution range (Å)*** | 32.9–2.30 (2.44–2.30) |
30.0–2.10 (2.23–2.10) |
18.2–1.37 (1.45–1.37) |
33.7–1.80 (1.91–1.80) |
34.9–1.35 (1.43–1.35) |
38.1–2.00 (2.12–2.00) |
34.1–1.60 (1.70–1.60) |
34.9–1.80 (1.91–1.80) |
19.5–2.00 (2.12–2.00) |
32.3–1.60 (1.69–1.60) |
| Completeness (%) | 92.4 (86.5) | 97.3 (96.2) | 99.0 (98.6) | 98.9 (97.4) | 95.9 (92.1) | 92.4 (98.9) | 98.2 (96.1) | 97.1 (95.4) | 98.7 (97.5) | 99.2 (96.9) |
| Redundancy | 2.84 (2.52) | 3.71 (3.71) | 6.35 (6.33) | 3.70 (3.67) | 3.72 (3.47) | 3.29 (3.31) | 3.04 (2.89) | 3.94 (3.81) | 3.73 (3.73) | 3.69 (3.65) |
| I/σ(I) | 14.0 (1.88) | 15.5 (2.28) | 18.2 (2.52) | 14.3 (2.07) | 17.6 (2.10) | 13.9 (2.43) | 13.6 (2.33) | 14.5 (2.14) | 19.5 (2.25) | 20.3 (2.23) |
| Rmerge (%) | 4.2 (44.8) | 4.8 (62.1) | 5.1 (75.5) | 5.1 (61.7) | 3.4 (66.6) | 5.0 (51.5) | 4.4 (42.3) | 7.2 (71.7) | 4.0 (63.2) | 2.9 (60.2) |
| Rcryst (%) | 22.5 | 20.8 | 19.5 | 20.6 | 16.3 | 20.6 | 17.4 | 18.7 | 21.1 | 17.7 |
| Rfree (%) | 25.4 | 25.1 | 23.8 | 25.6 | 19.9 | 25.3 | 20.5 | 22.6 | 25.5 | 21.3 |
| PDB code | 5APP | 5APQ | 5APS | 5APT | 5APU | 5APV | 5APW | 5APX | 5APY | 5APZ |
*M = MARRESEARCH mar225 CCD detector; P = DECTRIS PILATUS 6M detector.
**twinned with apparent H32 symmetry and twinning operators.
1/2*h-3/2*k,-1/2*h-1/2*k,-1/2*h+1/2*k-l and 1/2*h+3/2*k,1/2*h-1/2*k,-1/2*h-1/2*k-l.
***values in parenthesis refer to the highest resolution shell.