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. Author manuscript; available in PMC: 2020 Oct 1.
Published in final edited form as: Nature. 2020 Mar 18;580(7802):288–293. doi: 10.1038/s41586-020-2116-0

Extended Data Table 2 |.

Cryo-EM data collection, refinement and validation statistics of MthK WT Ca2+ bound states 1–3, MthK WT Ca2+ bound closed state, and RCK states 1–2.

MthK EDTA
(EMDB-20663 (PDB 6U6D)
MthK Ca2+ Δ2–17 state 1
(EMDB-20930) (PDB 6UX7)
MthK Ca2+ Δ2–17 state2
(EMDB-20931) (PDB 6UXA)
MthK Ca2+ Δ2–17 state3
(EMDB-20932) (PDB 6UXB)
Δ2–17 Ca2+ RCK state 1
(EMDB-20925) (PDB 6UWN)
Δ2–17 Ca2+ RCK state 1
(EMDB-20929) (PDB 6UX4)
Data collection and processing
Magnification 130000 22500 22500 22500 22500 22500
Voltage (kV) 300 300 300 300 300 300
Electron exposure (e-/Å2) 49.32 57 57 57 57 57
Defocus range (urn) −0.5 to −3 −1.4 to−2.4 −1.4 to−2.4 −1.4 to−2.4 −1.4 to−2.4 −1.4 to−2.4
Pixel size (Å) 1.05878 1.07 1.07 1.07 1.07 1.07
Symmetry imposed C4 Cl Cl Cl C2 C2
Initial particle images 360,273 1,356,600 1,356,600 1,356,600 1,356,600 1,356,600
Final particle images 80,904 40,536 96,834 68,286 175,149 273,492
Map resolution (Å) 3.6 6.7 4.5 4.9 3.5 3.5
 FSC threshold 0.143 0.143 0.143 0.143 0.143 0.143
Map resolution range (Å) 2.8–3.8 5–7 5–7 5–7 3.2–3.6 3.2–3.6
Refinement * * *
Initial model used (PDB code) 2FY8 3LDC 3LDC 3LDC 4L73 4L73
Model resolution (Å) 3.7 7 6.5 6.3 3.5 3.4
 FSC threshold 0.5 0.5 0.5 0.5 0.5 0.5
Model resolution range (Å) 2.8–3.8 5–7 5–7 5–7 3.2–3.6 3.2–3.6
Map sharpening B −110 −100 −100 −100 −159 −174
factor (Å2)
Model composition
 Non-hydrogen 16770 10344 10344 10344 13258 13258
atoms 2156 2104 2104 2104 1776 1776
 Protein residues 2 0 0 0 24 24
 Ligands 50 45 45 45 72 58
B factors (Å2)
 Protein
 Ligand 50 - - - 47 33
R.m.s. deviations
 Bond lengths (Å) 0.002 0.005 0.005 0.005 0.007 0.011
 Bond angles (°) 0.487 0.774 0.775 0.775 0.711 0.816
Validation
 MolProbity score 1.58 0.75 0.75 0.75 1.35 1.4
 Clashscore 6.53 0 0 0 3.49 3.37
 Poor rotamers 0.0 0 0 0 0.15 0.29
(%)
Ramachandran plot
 Favored (%) 96.6 96.2 96.2 96.2 96.7 96
 Allowed (%) 3.4 3.8 3.8 3.8 3.3 4
 Disallowed (%) 0.0 0 0 0 0 0
*

indicates a poly-alanine model with side chains truncated and ligands removed.