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. 2019 Jan 28;75(Pt 2):138–150. doi: 10.1107/S2059798318017795

Table 2. Data-statistics table for example data collections with the ZOO system.

  M2R (SAD) Thaumatin Thermolysin Lysozyme (Br-SAD)
Collection scheme Small wedge SS-ROX Helical Mixed
Wavelength (Å) 1.0000 1.0000 1.0000 0.9000
Space group P21 P4122 P6122 P43212
a, b, c (Å) 46.5, 59.0, 89.2 58.1, 58.1, 150.4 93.0, 93.0, 129.5 79.1, 79.1, 37.5
α, β, γ (°) 90, 98.9, 90 90, 90, 90 90, 90, 120 90, 90, 90
Beam size (height × width) (µm) 10 × 10 10 × 18 2 × 15 10 × 15
Dose per wedge (MGy) 12 8 8 8–10
No. of loops 32 9 1 1
Total collection time (min) 401 89 6 21
No. of collected wedges 671 3263° 1 60° × 1, 40° × 7, 5° × 60
No. of used wedges 459 2154° 1 60° × 1, 40° × 7, 5° × 60
Resolution range (Å) 49.1–2.50 (2.59–2.50) 50.0–1.40 (1.45–1.40) 40.3–1.46 (1.51–1.46) 39.6–1.50 (1.55–1.50)
Completeness (%) 99.98 (99.88) 100 (100) 99.76 (98.83) 100 (100)
Multiplicity 24.2 (23.7) 340 (310) 19.7 (20.0) 20.3 (19.0)
R meas 0.506 (6.176) n/a 0.118 (1.74) 0.150 (2.45)
R p.i.m. 0.101 (1.252) n/a 0.026 (0.382) 0.032 (0.541)
I/σ(I)〉 10.2 (1.4) 6.5 (1.5) 14.5 (1.44) 13.8 (1.46)
CC1/2 0.996 (0.602) 0.984 (0.523) 0.998 (0.687) 0.999 (0747)
CCano 0.20 n/a n/a 0.289
Refinement
R work 0.237 0.191 0.166 0.199
R free 0.270 0.202 0.185 0.221
 No. of atoms
  Protein 3042 1564 2496 1001
  Water 26 184 293 152
  Ligand 22 16 5  
 Average B factor (Å2)
  Protein 63.9 14.9 22.7 23.6
  Water 40.4 26.5 37.8 33.97
  Ligand 39.5 15.6 19.7  
 R.m.s.d. from ideal
  Bond lengths (Å) 0.002 0.006 0.007 0.006
  Bond angles (°) 0.491 1.178 0.92 0.84
 Ramachandran plot
  Favored (%) 96.83 96.82 96.5 97.64
  Allowed (%) 2.91 3.18 3.50 2.36
  Outlier (%) 0.26 0.0 0.0 0.0

Helical full rotation, 60°; partial helical, 40°; small wedge and cluster, 5°.