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. 2014 Sep 30;70(Pt 10):2544–2557. doi: 10.1107/S1399004714013376
Crystal/data set YetJ-8 YetJ-9 YetJ-10 YetJ-11 YetJ-12 YetJ1–12 Merged (10)
Unit-cell parameters
a (Å) 61.55 61.79 61.81 61.60 61.62 61.87 61.87
b (Å) 287.13 290.13 290.44 289.75 289.94 288.30 288.40
No. of frames 360 × 2 360 × 2 360 × 2 360 × 2 360 × 2 10560 9120
Rotation span (°) 360 × 2 360 × 2 360 × 2 360 × 2 360 × 2 8160 6720
Bragg spacings (Å) 40–2.80 (2.87–2.80) 40–2.81 (2.88–2.81) 40–2.81 (2.88–2.81) 40–3.00 (3.07–3.00) 40–2.81 (2.88–2.81) 40–2.80 (2.87–2.80) 40–2.80 (2.87–2.80)
Total reflections 536689 552887 551875 513974 548275 5694070 4706387
Unique reflections 8590 8797 8656 7298 8542 8784 8784
Multiplicity 62.5 (21.8) 62.8 (20.7) 63.8 (23.4) 70.4 (39.3) 64.2 (24.4) 648.2 (96.2) 535.8 (77.7)
Completeness (%) 98.3 (90.2) 99.3 (94.5) 97.9 (86.9) 99.7 (97.4) 97.3 (85.8) 98.9 (88.7) 98.9 (88.7)
R meas 0.270 (2.073) 0.153 (1.579) 0.168 (1.576) 0.264 (1.636) 0.174 (1.487) 0.366 (1.720) 0.359 (1.896)
R p.i.m. 0.044 (0.592) 0.025 (0.459) 0.027 (0.430) 0.041 (0.346) 0.028 (0.397) 0.017 (0.227) 0.019 (0.205)
I/σ(I)〉 19.0 (1.8) 35.2 (2.0) 34.0 (2.1) 26.3 (2.8) 33.1 (2.4) 57.7 (3.3) 56.8 (3.0)
〈ΔF/σ(ΔF)〉 0.97 1.22 1.19 0.98 1.25 1.50 1.51
RACC (%) [rank] 19.2 [12′] 62.9 [1′] 57.7 [2′] 43.1 [4′] 55.9 [3′] 100.0
Anomalous CC (%) 31.2 39.6 37.4 17.9 48.8 56.5 55.7