Table 1.
Data collection and refinement statistics
Data set | SF3A1-UBL U1-SL4 (native) | SF3A1-UBL U1-SL4 (native SAD) |
Space group | I222 | I222 |
Unit cell | ||
dimensions (a, b, c) (Å) | 42.993, 62.722, 138.28 | 43.24, 62.78, 139.09 |
angles (α, β, γ) (°) | 90, 90, 90 | 90, 90, 90 |
Data collection* | ||
Wavelength (Å) | 0.999987 | 2.07505 |
Resolution range (Å) | 41.06–1.56 (1.66–1.56) | 41.05–2.00 (2.09–2.00) |
Rmeas, % | 4.3 (335.7) | 5.9 (44.4) |
Rpim, %† | 1.2 (96.1) | 0.6 (8.3) |
Completeness, % | 99.6 (98.8) | 99.58 (96.57) |
Mean I/σ(I) | 21.74 (0.75) | 59.7 (6.0) |
Multiplicity | 13.3 (13.3) | 85.6 (24.1) |
CC 1/2 | 100 (66.6) | 100 (98.7) |
Wilson B | 42.83 | 46.07 |
Refinement | ||
Data range (Å) | 41.06–1.56 | |
Rcryst, % | 21.79 | |
Rfree, % | 25.79 | |
No. of atoms per asymmetric unit | ||
all atoms | 1,270 | |
protein | 699 | |
RNA | 506 | |
ligand | 17 | |
water | 48 | |
Average B-factor (Å2) | ||
all atoms | 75.97 | |
protein | 54.97 | |
RNA | 107.45 | |
ligand | 63.18 | |
water | 54.48 | |
Ramachandran plot | ||
favored regions, % | 98.86 | |
disallowed regions, % | 0 | |
Rmsd from ideal geometry | ||
bond lengths (Å) | 0.007 | |
bond angles (°) | 0.861 |
Values in parentheses are for highest-resolution shell.
†Rpim gives the precision of averaged intensities and is a better indicator for data quality in highly redundant datasets than Rmerge, which penalizes redundancy (55).