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. 2018 Feb 21;5(Pt 2):211–222. doi: 10.1107/S2052252518001124

Table 1. Data collection, model and map statistics.

  CypA AP WrpA
Data-collection and Bragg statistics
 Space group P212121 P6322 P4222
 Unit-cell parameters
   a, b, c (Å) 42.9, 52.4, 89.1 161.3, 161.3, 139.4 61.3, 61.3, 128.7
  α, β, γ (°) 90.0, 90.0, 90.0 90.0, 90.0, 120.0 90.0, 90.0, 90.0
 Wavelength (Å) 0.9795 0.9795 0.9787
 Oscillation range (°) 0.5 0.15 1.0
 Data-collection temperature (K) 273 100 100
 Beam divergence SD (°) 0.0417 0.0285 0.0339
 Mosaicity (°) 0.106 0.136 0.197
 Resolution range (Å) 44.57–1.20 (1.24–1.20) 49.36–2.00 (2.07–2.00) 44.38–2.51 (2.60–2.51)
 Multiplicity 5.8 (4.8) 6.3 (6.5) 12.7 (12.7)
 Completeness (%) 93.6 (85.8) 94.0 (92.7) 99.6 (98.5)
 〈I/σ(I)〉 11.3 (3.9) 26.2 (3.6) 25.5 (4.6)
R merge 0.113 (0.504) 0.045 (0.348) 0.061 (0.520)
R meas 0.123 (0.564) 0.049 (0.375) 0.063 (0.542)
 CC1/2 0.989 (0.872) 1.000 (0.972) 0.999 (0.962)
 Wilson B2) 16.1 31.4 64.7
 Detector PILATUS 6M PILATUS 6M MAR Mosaic 300
 SBGrid ID 68 456 203
Structure-refinement statistics
 Resolution range (Å) 44.57–1.20 49.36–2.00 44.37–2.50
 No. of non-H atoms 1419 6731 1237
 Average B factor (Å2) 21.4 46.2 77.0
 Solvent content (%) 56 62 52
R work/R free 0.169/0.177 0.192/0.231 0.235/0.277
Diffuse scattering statistics
 Resolution range (Å) 93.4–1.5 75.2–2.5 69.3–2.1
 CCFriedel pairs 0.979 (0.623) 0.954 (0.695) 0.988 (0.689)
 CCunsym, Friedel-sym § 0.996 (0.915) 0.994 (0.957) 0.997 (0.930)
 CCunsym, Laue-sym § 0.993 (0.862) 0.984 (0.887) 0.994 (0.827)
 Completeness (%) 98.7 96.1 100.0

Values in parentheses are for the highest resolution shell.

For values in parentheses, the average radial intensity was subtracted prior to applying symmetry operations.

§

Correlation coefficient between the unsymmetrized map and the map after applying the indicated symmetry operations.