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. 2020 Nov 3;15(11):e0240932. doi: 10.1371/journal.pone.0240932

Table 3. Cryo-EM data collection, processing and refinement statistics.

Dataset 1 Dataset 2
PARP2-QFRD/Nuc165 PARP2-QFRD/Nuc165
Data collection 3D reconstruction
Facility Boulder EM Services Janelia
Microscope / detector Tecnai F30 / K2 Titan Krios / K2
Acceleration voltage (kV) 300 300
Magnification 31 000x 22 500x
Super-resolution mode no yes
Physical pixel size (Å/px) 1.271 1.31
Nominal defocus range (μm) -1 to -2.5 -1 to -2.5
Electron dose rate (e-/px/s) 17.83 10
Exposure time (s) 4 8
Total electron dose (e-2) 56.10 58
Number of movie frames 40 50
Dose per frame (e-2) 1.4025 1.16
Number of movies collected 632 2 355
Initial number of particles 226 250 984 171
Number of particles for 3D classification 168 765 983 946
Symmetry C1 C1
Number of particles for 3D refinement 27 889 16 304
Resolution at FSC = 0.143 10.5 / 11.6 10.5 / 12.3
(masked / unmasked) (Å)
B factor for map sharpening (Å2) -1 127.02 -833.594
Model refinement
Chains 22
Atoms 26 958
Amino acid residues 1735
Nucleotides 638
Water molecules 0
Bond length RMSD (Å) (number of outliers > 4σ) 0.015
(1)
Bond angle RMSD (°) (number of outliers > 4 σ) 1.938
(187)
MolProbity score 0.56
Clash score 0.14
Ramachandran outliers (%) 0.00
Ramachandran allowed (%) 1.59
Ramachandran favored (%) 98.41
Rotamer outliers (%) 0.21
Cβ outliers (%) 0.00
Peptide plane outliers (%) 0.00 / 0.00
Cis proline / general
Peptide plane outliers (%) 0.00 / 0.00
Twisted proline / general
CaBLAM outliers (%) 0.78
Protein B factors (Å2) 24.17 / 521.23 / 180.96
min/max /mean
DNA B factors (Å2) 60.99 / 771.83 / 271.27
(min/max/mean)
Model-to-map real-space CC 0.61
(mask)
Model-to-map real-space CC 0.79
(box)
Model-to-map real-space CC 0.42
(peaks)
Model-to-map real-space CC 0.53
(volume)