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. 2020 Mar 30;48(8):4448–4462. doi: 10.1093/nar/gkaa201

Table 2.

Data collection and refinement statistics

Data collection MsmTOP1-839t/MTS2-25
Space group P212121
Unit cell dimensions
a, b, c (Å) 133.3, 135.1, 145.1
α, β, γ (°) 90, 90, 90
Protein MW Da (residue) 92 202 (839)a
DNA MW Da (residue) 7 649 (25)
Mol or complex (AU) 2
Wavelength (Å) 0.9793
Resolution (Å) 3.11–47.4
Number of unique reflections 47 334 (2 351)b
Completeness (%) 98.9 (99.5)b
Redundancy 4.9 (5.4)b
R merge 0.073 (0.849)b
I/σ(I) 29.9 (1.7)b
CC1/2 (0.764)b
Wilson B-factors (Å2) 110.0
Phasing c
Correlation coefficient 0.668
Refinement
Resolution (Å) 3.11–47.4
Number of unique reflections (work/test) 44 960/2 282
R work/Rfree (%) 22.5/27.5
No.of atoms
Protein/DNA 11 351/984
Water/others 0/110
B-factors
Protein/DNA (Å2) 142.3/135.0
Water/others (Å2) NA/189.2
R.m.s, deviation
Bond length (Å) 0.002
Bond angle (°) 0.443
Ramachandran plot (%)
Preferred regions (%) 92.9
Allowed regions (%) 6.69
Outliers (%) 0.39
PDB code 6PCM

aNot including three N-terminal vector-derived residues, SNA.

bLast resolution bin, 3.11–3.15 Å.

cMolecular replacement (29).