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 |