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. 2022 May 17;29(5):493–501. doi: 10.1038/s41594-022-00768-w

Table 2.

Cryo-EM data collection, refinement and validation statistics for the 4×197 and 4×207 arrays

4×197 4×207
nuc 1 nuc 2 nuc 3 stack trinuc nuc 1 nuc 2 nuc 3 stack trinuc
EMD-13372 EMD-13373 EMD-13374 EMD-13371 EMD-13370 EMD-13381 EMD-13382 EMD-13383 EMD-13380 EMD-13379
PDB 7PFD PDB 7PFE PDB 7PFF PDB 7PFC PDB 7PFA PDB 7PFV PDB 7PFW PDB 7PFX PDB 7PFU PDB 7PFT
Data collection and processing
Magnification ×81,000 ×81,000 ×81,000 ×81,000 ×81,000 ×81,000 ×81,000 ×81,000 ×81,000 ×81,000
Voltage (kV) 300 300 300 300 300 300 300 300 300 300
Electron exposure (e-2) 60 60 60 60 60 60 60 60 60 60
Defocus range (μm) 0.5–3.0 0.5–3.0 0.5–3.0 0.5–3.0 0.5–3.0 0.5–2.0 0.5–2.0 0.5–2.0 0.5–2.0 0.5–2.0
Pixel size (Å/pix) 1.05 1.05 1.05 1.05 1.05 1.05 1.05 1.05 1.05 1.05
Symmetry imposed C1 C1 C1 C1 C1 C1 C1 C1 C1 C1
Initial particle images 1,075, 418 1,075, 418 1,075, 418 1,075, 418 1,075, 418 1,259,654 1,259,654 1,259,654 1,259,654 1,259,654
Final particle images 113,924 54,212 113,924 113,924 14,348 100,339 41,441 100,339 100,339 18,025
Map resolution (Å) 4.4 4.4 4.3 6.4 9.7 4.4 5.2 4.3 5.0 9.8
 FSC threshold 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143
Map resolution range (Å) 4.0–7.5 3.9–10 3.9–8.5 4.4–12 7–13 4.2–7.4 4.5–9.9 4.1–7.6 4.1–7.6 7–14
Refinement
Initial models used (PDB code) 7K5Y 7K5Y 7K5Y 7K5Y 7K5Y 7K5Y
Model resolution (Å) 4.4 4.4 4.3 6.4 9.7 4.4 5.2 4.3 5.0 9.8
Model resolution range (Å) 4.0–7.5 3.9–10 3.9–8.5 4.4–12 7–13 4.2–7.4 4.5–9.9 4.1–7.6 4.1–7.6 7–14
Map sharpening B factor (Å2) −50 −100 −50 −50 0 −100 −100 −100 −100 0
Model composition
 Non-hydrogen atoms 13,675 13,880 12,935 26,814 42,335 13,880 13,470 13,880 27,760 44,100
 Protein residues 843 843 768 1,611 2,454 843 843 843 1,686 2,529
 DNA 334 354 334 688 1,122 354 334 354 708 1,182
B factors (Å2)
 Protein 408 202 366 516 324 325 376 330 403 344
 DNA 421 252 413 589 391 384 382 380 474 549
R.m.s. deviations
 Bond lengths (Å) 0.006 0.007 0.006 0.006 0.007 0.006 0.006 0.006 0.006 0.006
 Bond angles (°) 0.915 0.936 0.921 0.950 1.137 0.864 0.920 0.880 0.894 1.026
Validation
 MolProbity score 1.44 1.39 1.49 1.59 1.50 1.44 1.43 1.39 1.47 1.42
 Clashscore 7.78 7.08 9.19 10.58 9.43 8.13 7.86 7.13 8.78 7.69
 Poor rotamers (%) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Ramachandran plot
 Favored (%) 98.0 98.5 98.4 97.8 98.3 98.8 98.9 98.7 98.1 98.7
 Allowed (%) 2.0 1.5 1.6 2.2 1.7 1.2 1.1 1.3 1.9 1.3
 Disallowed (%) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0