Table 1.
| Data collection statistics | Native | Osmium | Gold |
|---|---|---|---|
| Diffraction Source | ESRF BM30 | Soleil Proxima 1 | Soleil Proxima 1 |
| Wavelength (Å) | 0.9797 | 1.13956 | 1.04014 |
| Temperature (K) | 100 | 100 | 100 |
| Detector | ADSC 315 | ADSC 315r | ADSC 315r |
| Crystal-to detector distance (mm) | 395.365 | 318.00 | 354.464 |
| Rotation range per image (°) | 1.0 | 1.0 | 1.0 |
| Total rotation range (°) | 180 | 180 | 370 |
| Exposure time per image (s) | 60 | 0.5 | 0.5 |
| Space group | P21 | P21 | P21 |
| a, b, c (Å) | 45.79, 47.78, 68.67 | 47.26, 47.87, 69.15 | 47.32, 47.83, 69.23 |
| α, β, γ (°) | 90, 99.05, 90 | 90, 105.24, 90 | 90, 105.54, 90 |
| Mosaicity (°) | 0.256 | 0.167 | 0.187 |
| Resolution range (Å) | 30–2.20 (2.33–2.20) | 50–2.35 (2.41–2.35) | 50–2.32 (2.38–2.32) |
| Total No. of reflections | 44 738 (2945) | 41 939 (1943) | 92 102 (4122) |
| No. of unique reflections | 13 144 (1235) | 22 741 (1368) | 23 716 (1157) |
| Completeness (%) | 87.3 (52.0) | 93.4 (75.3) | 93.7 (61.9) |
| Multiplicity | 3.4 (2.38) | 1.8 (1.42) | 3.9 (3.56) |
| {I/σ(I)} | 18.57 (0.97) | 7.37 (1.30) | 9.4 (1.12) |
| CC1/2 | 99.9 (42.5) | 99.5 (77.4) | 99.8 (46.9) |
| R merge 1 (%) | 3.9 (93.9) | 6.2 (45.8) | 9.8 (132.7) |
| R r.i.m. 2 (%) | 4.6 (122.3) | 8.3 (64.4) | 11.3 (154.6 |
| Over all B factor from Wilson plot (Ų) | 59.76 | 54.47 | 54.98 |
| Refinement statistics | |||
| Reflections used in refinement | 13 139 | 12 950.00 | 12 303.00 |
| Reflections used for R-free | 553 | 532.00 | 491.00 |
| R work 3 (%) | 19.24 | 20.27 | 18.63 |
| R free 4 (%) | 23.77 | 23.4 | 22.61 |
| Number of non-hydrogen atoms | |||
| RNA | 2683 | 2660.00 | 2751.00 |
| Ion | 4 | 9.00 | 4.00 |
| Water | 230 | 242.00 | 184.00 |
| R.m.s. Deviations | |||
| Bonds (Å) | 0.01 | 0.01 | 0.01 |
| Angles (°) | 0.79 | 0.93 | 0.83 |
| Average B factors (Ų) | 58.6 | 59.17 | 59.41 |
| RNA | 58.91 | 59.38 | 59.8 |
| Ion | 63.04 | 88.36 | 62.79 |
| Water | 55.48 | 51.63 | 47.76 |
1 R merge = Σhkl Σi |Ii(hkl) – {I(hkl)}| / Σhkl ΣiIi(hkl).
2 R r.i.m. = redundancy independent merging R factor.
3 R work = Σhkl ||Fobs| - |Fcalc|| / Σhkl |Fobs|.
4 R free = Σhkl ||Fobs| - |Fcalc|| / Σhkl |Fobs| calculated using a random set containing 5% of the reflections that were not included throughout refinement.
5The precentage of residues in Ramachandran plot areas were determined using PROCHECK.