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. 2015 Jul 16;112(31):E4197–E4205. doi: 10.1073/pnas.1422981112

Table S1.

Data collection and refinement statistics

Data collection and refinement TrmD-AdoMet TrmD-sinefungin TrmD-WT tRNA -sinefungin TrmD-36U tRNA -sinefungin TrmD-36C tRNA -sinefungin
Data collection
 Beam line BL-NW12A in PF BL5A in PF BL41XU in SP8 BL-NE3A in PF BL32XU in SP8
 Space group R32:H R32:H P41212 P41212 P41212
 Cell dimensions
  a, b, c (Å) 93.9, 93.9, 178.0 93.8, 93.8, 177.9 86.8, 86.8, 227.0 87.4, 87.4, 229.0 87.5, 87.5, 228.7
  α, β, γ (°) 90, 90, 120 90, 90, 120 90, 90, 90 90, 90, 90 90, 90, 90
  Resolution (Å) 50.00–1.55 (1.58–1.55) 50.00–1.60 (1.63–1.60) 50.00–3.00 (3.11–3.00) 50.00–2.90 (3.00–2.90) 50.00–3.00 (3.11–3.00)
  Rsym 0.064 (0.969) 0.061 (0.553) 0.121 (0.875) 0.151 (0.852) 0.153 (0.694)
  II 43.7 (3.0) 30.2 (3.6) 20.7 (2.1) 20.0 (2.5) 20.2 (2.3)
 Redundancy 11.2 (11.2) 6.1 (6.0) 10.3 (9.3) 9.9 (8.8) 7.3 (7.4)
 Completeness (%) 98.2 (96.9) 99.8 (100.0) 99.6 (99.9) 99.6 (99.8) 99.8 (99.9)
Refinement
 Resolution (Å) 36.8–1.55 23.3–1.60 34.5–3.0 31.6–2.9 43.7–3.0
 No. of reflections 40917 39805 17858 20515 18457
Rwork/Rfree 0.174/0.201 0.186/0.219 0.219/0.283 0.199/0.278 0.219/0.283
 Number of atoms
  Protein 1,891 1,896 3,848 3,846 3,846
  RNA 1,519 1,516 1,516
  AdoMet/Sinefungin 27 27 54 54 54
  Water 280 242
 B-factors (Å2)
  Protein 20.1 22.3 89.7 64.6 79.2
  RNA 104.7 88.4 104.6
  AdoMet/Sinefungin 17.9 18.5 73.6 54.5 66.1
  Water 34.4 32.9
 R.m.s. deviations
  Bond length (Å) 0.020 0.014 0.008 0.022 0.018
  Bond angles (°) 1.95 1.54 1.39 1.59 1.33
 Ramachandran plot
  Favored/allowed (%) 99.1/0.9 99.2/0.8 97.7/2.1* 97.9/2.1 97.9/2.1
 PDB ID code 4YVG 4YVH 4YVI 4YVJ 4YVK

Values in parentheses are for the highest-resolution shell.

*

One residue (Leu229 in subunit B) is plotted slightly outside the allowed region in Ramachandran plot.