Table 2.
Data collection and refinement statistics (highest resolution value is in bold)
| ORF 49-n02 | ORF 49-n17 | ORF 49-n11 | |
| Data collection | |||
| Protein Data Bank ID code | 4HEM | 4HEP | 4IOS |
| Source | Soleil Proxima 1 | Soleil Proxima 1 | Soleil Proxima 1 |
| Space group; cell dimensions | P212121; 71.0, 104.2, 122.2 | H32; 74.4, 74.4, 375.9 | H3; 148.3, 148.3, 104.6 |
| Resolution limits* (Å) | 50.0–1.65 (1.69–1.65) | 50.0–1.75 (1.80–1.75) | 50.0–2.40 (2.40–2.54) |
| Rmerge* (%) | 5.4 (47.0) | 2.9 (43.6) | 8.6 (53.4) |
| No. of observations* | 1,401,086 (104,352) | 315,367 (23,537) | 226,472 (36,310) |
| No. of unique reflections* | 108,049 (7,798) | 41,184 (2,999) | 33,444 (5,342) |
| Mean (SD)* | 25.9 (5.7) | 33.5 (4.4) | 15.5 (2.25) |
| Completeness* (%) | 98.7 (97.5) | 99.9 (100.0) | 99.8 (99.7) |
| Multiplicity* | 13.0 (13.4) | 7.7 (7.8) | 6.3 (6.15) |
| Refinement | |||
| Resolution* (Å) | 24.2–1.65 (1.69–1.65) | 50.0–1.75 (1.80–1.75) | 22.1–2.40 (2.47–2.40) |
| No. of reflections* | 108,009 (7,782) | 41,168 (2,873) | 33,442 (2,852) |
| No. of protein/water | 5828/937 | 2,169/325 | 6,299/253 |
| No. of test set reflections | 3,234 | 1659 | 1,672 |
| Rwork/Rfree* (%) | 16.8/17.7 (17.9/21.6) | 19.8/20.4 (22.60–22.1) | 20.1/22.7 (23.1/28.7) |
| rmsd bonds (Å)/angles (°) | 0.01/1.09 | 0.009/1.13 | 0.009/1.21 |
| B Wilson/B average | 25.5/31.6 | 36.5/42 | 56.9/54.3 |
| Ramachandran preferred/allowed/outliers (%) | 97.8/2.2/0 | 95.8/3.2/1 | 94.6/4.2/1.2 |
*
Numbers in parentheses refer to the highest resolution bin.