Table 1.
Data Collection and Refinement Statistics
| Data collection | Msrb3 (1–156) | Msrb3 (1–137) |
| Space group | P212121 | P21212 |
| Unit cell dimensions | ||
| a, b, c (Å) | 44.05, 65.30, 112.89 | 81.15, 85.71, 49.17 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 1.85 | 1.71 |
| Rpim | 0.105 | 0.041 |
| Mean I/σ(I) | 4.9 | 11.3 |
| Completeness (%) | 99.8 | 99.2 |
| Multiplicity | 6.7 | 4.2 |
| Wilson B factor (Å2) | 16.4 | 22.15 |
| Refinement | ||
| Resolution (Å) | 42.67–1.87 | 42.65–1.71 |
| No. of reflections/test set | 27,651/1383 | 37,458/1835 |
| Rwork/Rfree | 0.182/0.226 | 0.174/0.222 |
| No. of atomsa | ||
| Protein | 2223 | 2194 |
| Water | 325 | 352 |
| Other | 43 | 16 |
| RMSD from ideal geometry | ||
| Bond lengths (Å) | 0.007 | 0.007 |
| Bond angles (°) | 0.899 | 0.835 |
| Ramachandran | ||
| favored (%) | 99.60 | 98.90 |
| outliers (%) | 0 | 0 |
| Rotamer outliers | 0 | 0.82 |
a
Covalent modifications of protein amino acids, including methyl groups on lysine and the dimethylarsinoyl modification of cysteine, are included in “other.” Also included in “other” are MPD and zinc, sulfate, and chloride ions. Only non-hydrogen atoms were counted.
MPD, 2-methyl-2,4-pentanediol; Msr, methionine sulfoxide reductase; RMSD, root mean square deviation.