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. Author manuscript; available in PMC: 2019 Jul 5.
Published in final edited form as: Nature. 2019 May 29;571(7763):79–84. doi: 10.1038/s41586-019-1259-3

Extended Data Table 1. NCP-UV-DDB complex cryo-EM data collection, refinement and validation statistics.

NCP6-4PP-UV-DDB
(EMD-4762)
(PDB 6R8Y)
NCPTHF2(-1)-UV-DDB
(EMD-4763)
(PDB 6R8Z)
NCPTHF2(-3)-UV-DDB
(EMD-4765)
(PDB 6R91)
NCPTHF2(+1)-UV-DDB class A
(EMD-4764)
(PDB 6R90)
NCPTHF2(+1)-UV-DDB class B
(EMD-4766)
(PDB 6R92)
Data collection and processing
Magnification 130,000 105,000 130,000 130,000 130,000
Voltage (kV) 300 300 300 300 300
Electron exposure (e2) 40 60 40 40 40
Defocus range (µm) -0.4 – -0.7 -1.0 – -3.0 -0.4 – -0.7 -0.4 – -0.7 -0.4 – -0.7
Pixel size (Å) 0.86 0.55 (super resolution) 1.72 (data 2 x binned) 0.86 0.86
Symmetry imposed C1 C1 C1 C1 C1
Initial particle images (no.) 1,355,846 511,505 719,698 1,078,133 1,078,133
Final particle images (no.) 84,000 129,986 119,309 128,763 48,925
Map resolution (Å) 4.3 3.9 4.2 4.5 4.8
    FSC threshold 0.143 0.143 0.143 0.143 0.143
Map resolution range (Å) 3.0−12 3.0−12 4.0−7 4.0−12 4.0−12
Refinement
Initial models used (PDB codes) 4ZUX, 5Y0C, 4E54, 3EI4 4ZUX, 5Y0C, 4E54, 3EI4 4ZUX, 5Y0C, 4E54, 3EI4 4ZUX, 5Y0C, 4E54, 3EI4 4ZUX, 5Y0C, 4E54, 3EI4
Model resolution (Å) 3.9 3.8 4.4 4.2 4.5
    FSC threshold 0.143 0.143 0.143 0.143 0.143
Map sharpening B factor (Å2) -120 -233 -180 -160 -200
Model composition
    Non-hydrogen atoms 21,717 21,617 21,477 21,268 21,500
    Protein residues 1996 1984 1969 1944 1974
    Nucleotides 288 288 288 288 288
B factors (Å2)
    Protein 85 118 257 156 261
    DNA 73 90 264 155 244
    DNA damage 64 74 229 143 249
R.m.s. deviations
    Bond lengths (Å) 0.012 0.009 0.005 0.005 0.007
    Bond angles (°) 1.301 0.932 0.944 0.873 1.107
 Validation
    MolProbity score 1.44 1.48 1.43 1.41 1.58
    Clashscore 2.71 1.98 2.15 2.00 4.28
    Poor rotamers (%) 0.47 0.18 0.65 0.24 0.36
 Ramachandran plot
    Favored (%) 94.0 95.0 95.0 96.6 94.7
    Allowed (%) 5.7 4.6 4.6 3.1 5.0
    Disallowed (%) 0.3 0.4 0.5 0.3 0.4
Model-to-data fit*
CCmask 0.76 0.75 0.52 0.72 0.70
CCbox 0.78 0.79 0.64 0.76 0.83
CCpeaks 0.68 0.71 0.47 0.61 0.60
CCvolume 0.74 0.74 0.53 0.71 0.71
*

Correlation coefficients were calculated using maps filtered based on local resolution estimated with MonoRes46, sharpened with phenix.auto_sharpen47, and did not take into account the poorly resolved DDB1 B-domain portion of the map