Skip to main content
. 2021 Jul 13;153(8):e202112873. doi: 10.1085/jgp.202112873

Table 2. Cryo-EM data collection and model statistics.

Dataset SP1 untreated SP2 EDTA treated SP3sym EDTA treated SP3bent EDTA treated SP4sym EDTA/TPEN treated SP4bent EDTA/TPEN treated
Deposition N/A N/A N/A N/A
PDB 7KZX 7KZZ
EMDB EMD-23092 EMD-23093
Data collection and processing
Magnification 81,000 81,000 81,000 81,000 81,000 81,000
Voltage (kV) 300 300 300 300 300 300
Electron exposure (e2) 83 77 65 65 50 50
Defocus range (μm) 1.0-3.0 1.5-3.0 1-2.5 1-2.5 1-2.5 1-2.5
Pixel size (Å) 1.035 1.035 1.048 1.048 1.079 1.079
Symmetry imposed C2 C1 C2 C1 C2 C1
Initial particle images (no.) 473,960 848,576 1,448,191 1,448,191 1,685,559 1,685,559
Final particle images (no.) 102,390 140,565 151,898 85,207 287,608 140,971
Map resolution (Å) 3.83 4.00 3.42 4.18 3.52 4.66
FSC threshold 0.143 0.143 0.143 0.143 0.143 0.143
Model refinement MDFFa MDFFa MDFFa
Model composition
 Nonhydrogen atoms 10416 10446 10470 10446 10468 10446
 Protein residues 1362 1361 1364 1361 1364 1361
 Ligands 8 0 8 0 0 0
RMS deviations
 Bond lengths (Å) 0.004 0.011 0.014 0.012 0.012 0.009
 Bond angles (°) 0.884 1.103 2.397 1.275 1.238 1.119
Validation
 MolProbity score 2.39 2.31 2.13 2.73 2.41 2.65
 Clashscore 20.96 19.88 2.30 40.62 21.56 34.86
 Rotamer outliers (%) 0.00 0.00 4.11 0.00 0.00 0.00
 CaBLAM outliers (%) 3.88 4.72 5.70 6.02 5.02 4.42
Ramachandran plot
 Favored (%) 89.16 91.10 85.00 86.16 88.66 86.84
 Allowed (%) 10.84 8.60 11.57 13.61 11.04 13.16
 Disallowed (%) 0.00 0.30 3.43 0.22 0.30 0.00
Model vs. data CC (mask) 0.78 0.81 0.78 0.78 0.81 0.82

FSC, forward scatter.

a

Models created by Namdinator, which removes Zn ligands during its fitting process.