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. 2017 Nov 21;27(12):1485–1502. doi: 10.1038/cr.2017.144

Table 1. Data collection, phasing, and refinement statistics for SAD (SeMet) TIN2TRFH-TPP1TBM-TRF2TBM structure.

  SeMet TIN2TRFH-TPP1TBM-TRF2TBM
Data collection
Space group C2221
Cell dimensions  
a, b, c (Å) 46.222, 112.258, 121.209
α, β, γ (°) 90, 90, 90
  Se Peak
Wavelength (Å) 0.97854
Resolution (Å) 50-2.2
Rmerge 0.101(0.472)*
I/σI 14.3(2.1)
Completeness (%) 99.8(99.7)
Redundancy 3.4(3.3)
Refinement
Resolution (Å) 32.8-2.2
No. of reflections 16 341
Rwork/Rfree (%) 19.5/22.7
No. of atoms  
TIN2 1 539
TPP1 195
TRF2 101
Water 72
B-factors (Å2)  
TIN2 47.7
TPP1 57.9
TRF2 63.7
Water 50.5
RMS deviations  
Bond lengths (Å) 0.004
Bond angles (°) 0.600

*Values in parentheses are for the highest-resolution shell.