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. 2022 Jan 31;119(6):e2114092119. doi: 10.1073/pnas.2114092119

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).