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

Table 1.

Cryo-EM data collection, refinement and validation statistics for the 4×177 and 4×187 arrays

4×177 4×187
nuc 1 nuc 2 nuc 3 nuc 4 stack trinuc tetranuc nuc 1 nuc 2 nuc 3 nuc 4 stack trinuc
EMD-13359 EMD-13360 EMD-13361 EMD-13362 EMD-13358 EMD-13357 EMD-13356 EMD-13369 EMD-13368 EMD-13367 EMD-13366 EMD-13365 EMD-13363
PDB 7PEW PDB 7PEX PDB 7PEY PDB 7PEZ PDB 7PEV PDB 7PEU PDB 7PET PDB 7PF6 PDB 7PF5 PDB 7PF4 PDB 7PF3 PDB 7PF2 PDB 7PF0
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 ×81,000 ×81,000 ×81,000
Voltage (kV) 300 300 300 300 300 300 300 300 300 300 300 300 300
Electron exposure (e2) 60 60 60 60 60 60 60 60 60 60 60 60 60
Defocus range (μm) 0.5–2.0 0.5–2.0 0.5–2.0 0.5–2.0 0.5–2.0 0.5–2.0 0.5–2.0 0.5–2.0 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 1.05 1.05 1.05
Symmetry imposed C1 C1 C1 C1 C1 C1 C1 C1 C1 C1 C1 C1 C1
Initial particle images 1,341,160 1,341,160 1,341,160 1,341,160 1,341,160 1,341,160 1,341,160 1,259,654 1,259,654 1,259,654 1,259,654 1,259,654 1,259,654
Final particle images 174,476 128,860 174,476 20,621 174,476 174,476 20,621 110,706 61,926 110,706 51,385 110,706 27,515
Map resolution (Å) 4.6 5.1 4.5 7.9 6.0 7.2 9.5 4.0 3.8 4.0 4.0 5.1 11
 FSC threshold 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143 0.143
Map resolution range (Å) 4.2–8.0 4.5–7.3 4.1–8.7 7.2–25 4.5–10.8 5.6–11 6.8–25 3.9–11.3 3.4–8.1 3.8–9.2 3.6–9.3 4.0–13.0 8.0–14
Refinement
Initial models used (PDB code) 7K5Y 7K5Y 7K5Y 7K5Y 7K5Y 75KY 75KY 75KY
Model resolution (Å) 4.6 5.1 4.5 7.9 6.0 7.2 9.5 4.0 3.8 4.0 4.0 5.1 11
Model resolution range (Å) 4.2–8.0 4.5–7.3 4.1–8.7 7.2–25 4.5–10.8 5.6–11 6.8–25 3.9–11.3 3.4–8.1 3.8–9.2 3.6–9.3 4.0–13.0 8.0–14
Map sharpening B factor (Å2) −150 −520 −150 −300 −310 −300 −500 0 −50 0 −50 −50 0
Model composition
 Non-hydrogen atoms 13,304 13, 880 13,099 14,058 26,403 40,119 54,040 13,470 13,470 12,935 13,470 36,610 41,515
 Protein residues 768 843 768 843 1,536 2,379 3,222 843 843 768 843 1,611 2,454
 DNA 352 354 342 364 694 1040 1396 334 334 334 334 678 1,082
B factors (Å2)
 Protein 224 140 252 373 252 203 248 180 152 158 178 217 163
 DNA 294 191 315 419 372 302 220 222 190 241 220 325 340
R.m.s. deviations
 Bond lengths (Å) 0.006 0.005 0.006 0.006 0.006 0.006 0.007 0.008 0.006 0.005 0.007 0.007 0.011
 Bond angles (°) 0.912 0.932 0.895 0.910 0.957 1.087 1.280 1.054 0.889 0.887 0.944 0.974 1.335
Validation
 MolProbity score 1.3 1.36 1.14 1.46 1.45 1.42 1.64 1.62 1.32 1.41 1.43 1.47 1.56
 Clashscore 5.53 6.47 7.45 8.54 8.22 7.70 13.62 9.20 5.86 5.99 6.15 8.76 9.13
 Poor rotamers (%) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Ramachandran plot
 Favored (%) 98.9 98.4 98.4 98.2 98.4 98.6 98.4 97.3 98.2 97.6 97.6 98.2 97.7
 Allowed (%) 1.1 1.6 1.6 1.8 1.6 1.4 1.6 2.7 1.8 2.4 2.4 1.8 2.3
 Disallowed (%) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0

Nuc 1, 2 and 3 refer to nucleosome 1, 2 and 3; stack refers to stacked nucleosomes 1 and 3; trinuc refers to the trinucleosome consisting of nucleosomes 1, 2 and 3; tetranuc refers to the tetranucleosome.