TABLE 1.
Data collection and refinement statistics
| FTR:Trx‐y1 | FTR:Trx‐f2 | FTR:Trx‐m2 | Trx‐m1 | |
|---|---|---|---|---|
| Data collection | ||||
| Wavelength (Å) | 0.90000 | 0.90000 | 1.00000 | 0.90000 |
| Resolution range (Å) | 43.07–1.59 (1.69–1.59) | 48.71–1.79 (1.90–1.79) | 42.52–2.4 (2.54–2.4) | 26.68–1.10 (1.13–1.10) |
| Space group | P212121 | P212121 | C2 | P21 |
| Unit cell | ||||
| a, b, c (Å) | 54.96, 60.76, 61.06 | 68.74, 83.94, 69.04 | 174.26, 137.21, 192.46 | 24.01, 64.33, 29.49 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90.21, 90 | 90, 96.01, 90 |
| Total reflections | 184,414 (27,906) | 257,225 (42,160) | 663,199 (105,966) | 238,324 (38,607) |
| Unique reflections | 27,938 (4,419) | 37,812 (5,988) | 175,399 (27,733) | 35,880 (5,726) |
| Multiplicity | 6.6 (6.3) | 6.1 (6.3) | 6.2 (6.3) | 6.2 (6.3) |
| Completeness (%) | 99.8 (99.1) | 99.4 (98.6) | 99.14 (96.86) | 99.69 (98.70) |
| Mean I/sigma(I) | 10.40 (3.03) | 13.16 (2.53) | 8.82 (1.31) | 20.98 (9.8) |
| R‐merge | 0.12 (0.736) | 0.105 (0.943) | 0.123 (1.285) | 0.058 (0.252) |
| R‐means | 0.13 (0.754) | 0.114 (0.965) | 0.144 (1.494) | 0.063 (0.274) |
| CC1/2 | 0.995 (0.903) | 0.998 (0.833) | 0.995 (0.539) | 0.998 (0.98) |
| Refinement | ||||
| Reflections used in refinement | 27,910 | 37,802 | 175,276 | 35,799 |
| Reflections used for R‐free | 1,397 | 1891 | 8,764 | 1,668 |
| R‐work | 0.1699 | 0.1793 | 0.2095 | 0.1437 |
| R‐free | 0.1929 | 0.2105 | 0.2445 | 0.1877 |
| Number of nonhydrogen atoms | 1841 | 2,773 | 18,993 | 1,062 |
| Macromolecules | 1725 | 2,470 | 18,397 | 931 |
| Ligands | 8 | 65 | 66 | 1 |
| Solvent | 108 | 238 | 530 | 130 |
| RMS (bonds; Å) | 0.018 | 0.007 | 0.013 | 0.0135 |
| RMS (angles; °) | 1.41 | 0.81 | 1.04 | 2.21 |
| Ramachandran favored (%) | 98.10 | 97.37 | 98.76 | 100.00 |
| Ramachandran allowed (%) | 1.90 | 2.63 | 1.06 | 0.00 |
| Ramachandran outliers (%) | 0.00 | 0.00 | 0.18 | 0.00 |
| Clashscore | 2.63 | 1.39 | 7.78 | 4.79 |
| Average B‐factor (Å2) | 22.42 | 28.38 | 67.22 | 18.28 |
| Macromolecules | 22.00 | 27.67 | 67.64 | 16.32 |
| Ligands | 12.70 | 35.04 | 46.26 | 27.40 |
| Solvent | 29.77 | 33.94 | 55.32 | 32.20 |
| PDB ID | 7BZK | 7C2B | 7C3F | 7C65 |
Note: Values for the highest resolution shell are shown in parentheses.