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. Author manuscript; available in PMC: 2021 Apr 27.
Published in final edited form as: Nat Struct Mol Biol. 2020 Jul 13;27(8):743–751. doi: 10.1038/s41594-020-0457-x

Table 1. Cryo-EM data collection, refinement and validation statistics of condensin apo states.

#1 Non-engaged overall (EMD-10951, PDB 6YVU)* #2 Non-engaged arm segment (EMD-10948) #3 Non-engaged head segment (EMD-10947) #4 Bridged overall (EMD-10954) #5 Bridged arm segment (EMD-10953 #6 Bridged head segment (EMD-10952, PDB 6YVV)
Data collection and processing
Magnification 130k 105k, 130k 105k, 130k 130k 130k 130k
Voltage (kV) 300 300 300 300 300 300
Electron exposure (e2) 46.5 40 ~ 55 40 ~ 55 46.5 46.5 46.5
Defocus range (μm) -0.5 ~ -0.9 -0.5 ~ -0.9, -
1.6 ~ -3.6
-0.5 ~ -0.9, -
1.6 ~ -3.6
-0.5 ~ -0.9 -0.5 ~ -0.9 -0.5 ~ -0.9
Pixel size (Å) 1.065 1.05, 1.065,
1.085, 1.15
1.05, 1.065,
1.085, 1.15
1.065 1.065 1.065
Symmetry imposed C1 C1 C1 C1 C1 C1
Initial particle images (no.) 4,052,794 2,369,713 1,683,081 1,683,081 1,683,081 1,683,081
Final particle images (no.) 100,388 636,446 576,016 37,639 24,593
Map resolution (Å) 8.1 5.3 4.2 9.1 7.8 7.5
   FSC threshold 0.143 0.143 0.143 0.143 0.143 0.143
Map resolution range (Å) 8.1 to >10 5.3 to >10 4.2 to >10 9.1 to >10 7.8 to >10 7.5 to >10
Refinement
Initial model used Ab initio and 4RSI Homology model derived from
6QJ2, 6QJ4,
4UX3, 6Q6E
Homology model derived from
6QJ2, 6QJ4,
4UX3, 6Q6E
Model resolution (Å) 5.5 4.2 7.5
   FSC threshold 0.143 0.143 0.143
Model resolution range (Å) n/a 4.2 ~ 6.5 n/a
Map sharpening B factor (Å2) -276 -200 -334
Model composition
   Non-hydrogen atoms 14,952
   Protein residues 1,893
   Ligands
B factors (Å2)
   Protein 166.71
   Ligand
R.m.s. deviations 0.004
   Bond lengths (Å) 0.941
   Bond angles (°)
Validation
MolProbity score 2.46
Clashscore 24.58
Poor rotamers (%) 0.89
Ramachandran plot
   Favored (%) 88.77
   Allowed (%) 10.69
   Disallowed (%) 0.55
*

Pseudo-atomic sub-models of the entire complex were built and refined against the maps #2 (arm) and #3 (head segments), before being assembled into the holo-complex using the overall maps at lower resolution #1