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. 2020 Nov 13;11:5763. doi: 10.1038/s41467-020-19628-6

Table 1.

Data collection and refinement statistics for the Td CheA P3 domain.

(PDB ID: 6Y1Y)
Wavelength 0.979100
Resolution range 75.36–1.50 (1.55–1.50)
Space group C 1 2 1
Unit cell a, b, c: 101.64, 28.77, 82.90 α, β, γ: 90, 114.75, 90
Total reflections 53,542
Unique reflections 35,178 (3490)
Multiplicity 6.9 (6.2)
Completeness (%) 96.72 (99.31)
Mean I/sigma(I) 14.7 (5.4)
R-merge 0.063 (0.290)
R-meas 0.075 (0.350)
R-pim 0.040 (0.193)
CC1/2 0.99 (0.94)
Reflections for refinement 33,864 (3361)
Reflections for R-free 1308 (143)
R-work 0.187 (0.205)
R-free 0.211 (0.244)
No. non-H atoms 2344
  Macromolecules 2028
  Ligands 0
  Solvent 316
Protein residues 253
RMS(bonds) 0.006
RMS(angles) 0.93
Ramachandran favored (%) 100
Ramachandran allowed (%) 0.00
Ramachandran outliers (%) 0.00
Rotamer outliers (%) 0.40
Clashscore 6.87
Average B-factor 19.1
  Macromolecules 17.2
  Solvent 28.2