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. 2016 Feb 29;113(11):2952–2957. doi: 10.1073/pnas.1516167113

Table S1.

Data collection and refinement statistics

Statistic hTRAP1N-ADPNP apo hTRAP1N
Data collection
 Space group C 2221 P 3221
 Cell dimensions
  a, b, c, Å 92.57, 143.17, 103.01 65.25, 65.25, 233.37
  α, β, γ, ° 90.0, 90.0, 90.0 90.0, 90.0, 120.0
 Resolution, Å 29.41–1.85 (1.88–1.85) 77.79–1.82 (1.85–1.82)
Rsym or Rmerge 0.055 (0.527) 0.053 (0.486)
II 14.9 (8.4) 14.0 (3.75)
 Completeness, % 98.5 (98.0) 99.4 (99.6)
 Redundancy 7.9 (7.9) 6.7 (7.0)
Refinement
 Resolution, Å 29.41–1.85 77.79–1.82
 No. of reflections 54,569 52,606
Rwork/Rfree 0.176/0.203 0.182/0.215
 No. of atoms 4,015 3,570
 Protein 3,443 3,162
 Ligand/ion 64 0
 Water 508 408
B factors 24.7 22.8
 Protein 25.7 21.6
 Ligand/ion 8.8 N/A
 Water 20.4 32.5
 rmsd
  Bond lengths, Å 0.003 0.007
  Bond angles, ° 0.656 0.835

Each dataset was collected from a single crystal. Values in parentheses are for the highest-resolution shell. N/A, not applicable.