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. 2017 Mar 1;114(11):E2106–E2115. doi: 10.1073/pnas.1612444114

Table S1.

Data collection and refinement statistics

Value
Property IFIT1 (L457E/L464E) m7Gppp-AAAA IFIT1 (L457E/L464E) Gppp-AAAA IFIT1 (L457E/L464E) PPP-AAAA IFIT1 (N216A/L457E/L464E) m7Gppp-AAAA
Data collection
 PDB ID code 5UDI 5UDJ 5UDK 5UDL
 Space group P4222 P4222 P4222 P4222
 Molecule per ASU 1 1 1 1
 Cell dimensions
  a, b, c (Å) 111.7, 111.7, 93.2 112.5, 112.5, 93.5 112.4, 112.4, 93.2 111.8, 111.8, 93.0
  α, β, γ (°) 90, 90, 90 90, 90, 90 90, 90, 90 90, 90, 90
 Resolution (Å) 50–1.58 (1.61–1.58) 50–1.69 (1.72–1.69) 50–1.65 (1.68–1.65) 50–1.65 (1.68–1.65)
 Completeness (%) 100 (100) 100 (100) 99.7 (95.2) 100 (99.9)
Rpim (%) 2.4 (43.8) 4.1 (52.6) 2.4 (36.8) 2.8 (39.6)
 <I/σ(I)> 33.6 (1.74) 22.2 (1.9) 30.3 (1.96) 27.4 (1.78)
 Redundancy 14.5 (12.4) 14.5 (12.2) 14.2 (9.4) 14.6 (12.3)
Refinement
 Resolution (Å) 40.1–1.58 (1.6–1.58) 40.3–1.69 (1.71–1.69) 44.3–1.65 (1.67–1.65) 40.1–1.64 (1.67–1.64)
 No. reflections 81,063 (7,992) 67,665 (6,640) 71,917 (6,888) 71,805 (6,876)
Rwork/Rfree 15.7/17.8 (25.0/27.6) 15.9/18.1 (24.8/30.3) 16.4/18.4 (24.2/26.8) 16.4/18.2 (24.3/24.6)
 No. of non-H atoms
  Protein 3,842 3,852 3,833 3,816
  Ligand - RNA 168 116 97 117
  Ligand - PEG 10 10 41 10
  Ligand - ion 2 2 2 2
  Solvent 394 382 335 313
 Average B factors (Å2)
  All atoms 30.65 27.64 30.61 30.86
  Protein 30.7 27.6 30.4 30.9
  Ligand–RNA 18.8 17.0 19.3 22.2
  Ligand–PEG 49.2 48.5 57.4 62.6
  Ligand–ion 32.1 30.8 26.6 39.5
  Solvent 34.8 30.8 32.6 32.6
 Rms deviations
  Bond lengths (Å) 0.017 0.014 0.012 0.008
  Bond angles (°) 1.579 1.283 1.166 1.005

The highest-resolution shell is in parenthesis.