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. 2016 Mar 28;113(15):4051–4056. doi: 10.1073/pnas.1520555113

Table 1.

Data collection and refinement statistics

Parameters σS-TIC1 σS-TIC2 1-h soaking with CTP only σS-TIC3 1-h soaking with CTP, UTP, and GTP
Data collection
 Space group P212121 P212121 P212121
 Cell dimensions, Å
  a 131.71 132.75 132.87
  b 152.67 151.97 152.17
  c 226.70 228.06 229.12
 Resolution, Å 100–3.60 (3.66–3.60) 100–4.20 (4.27–4.20) 100–4.60 (4.68–4.60)
Rsym, % 12.5 (>100) 10.2 (>100) 8.5 (>100)
II* 9.87 (0.37) 8.44 (0.46) 10.06 (0.55)
 Completeness, % 99.6 (99.4) 99.9 (100) 99.3 (99.6)
 Redundancy 5.1 (4.2) 7.7 (7.9) 6.9 (6.8)
Refinement
 Resolution, Å 100–3.60 100–4.20 100–4.60
 No. reflections 50,952 32,692 24,772
Rwork/Rfree, % 24.7/28.7 26.7/32.7 24.0/33.4
 No. atoms 27,632 29,036 29,036
  Protein 26,167 27,572 27,572
  DNA/RNA/ions 1,465 1,464 1,464
 B factors 129.5 177.4 183.1
Rmsd
 Bond length, Å 0.011 0.011 0.008
 Bond angle, ° 1.448 1.422 1.179

Values in parentheses are for highest-resolution shell. Each dataset was collected from a single crystal.

*

I/σI = 2.0 at 4.2 Å (σS-TIC1), 5.6 Å (σS-TIC2), 6.2 Å (σS-TIC3); I/σI = 1.0 at 3.9 Å (σS-TIC1), 4.7 Å (σS-TIC2), 5.2 Å (σS-TIC3).