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. 2017 Aug 25;45(18):10872–10883. doi: 10.1093/nar/gkx743

Table 1. Data collection and refinement statistics.

Data collection p34ct/p44ct MC (I) p34ct/p44ct MC (II) p34hs/p44hs *
Space Group P 63 2 2 P 63 2 2 I 21 21 21
Cell Dimensions
a, b, c [Å] 138.21, 138.21, 95.24 147.06, 147.06, 87.60 81.41, 120.39, 128.67
α, β, γ [°] 90, 90, 120 90, 90, 120 90, 90, 90
Resolution [Å] 45.24 – 3.7 (4.05 – 3.70) 48.14 – 2.2 (2.27 – 2.20) 40.7 – 3.4 (3.58 – 3.40)
Wavelength [Å] 0.8726 0.97625 1.2826
Unique Reflections 6,120 (1,418) 28,834 (2,439) 9014 (1306)
I/σI 9.5 (1.4) 19.6 (1.0) 10.5 (2.0)
I/σI ≥ 2.0 [Å] ** 3.97 2.36 3.40
CC (1/2) 0.998 (0.601) 0.999 (0.700) 0.998 (0.820)
Rmerge [%] 20.0 (142.5) 12.1 (454.8) 13.3 (145.7)
Completeness [%] 99.8 (100.0) 100.0 (100.0) 99.4 (96.4)
Redundancy 8.1 (8.4) 18.5 (14.8) 13.1 (13.1)
SigAno 0.8 (0.6)
Refinement p34ct/p44ct MC (I) p34ct/p44ct MC (II) p34hs/p44hs *
Resolution [Å] 45.2 – 3.7 41.4 – 2.2 40.7 – 3.4
Unique Reflections 5828 28 436 9014
Number of Atoms 2088 2,211 3896
Rwork (Rfree) [%] 19.6 (24.6) 21.0 (22.7) 24.0 (29.0)
Mean B-Factor [Å2] 152.7 73.88 146.2
Bond Lengths [Å] 0.011 0.003 0.003
Bond Angles [°] 1.610 0.728 0.720
Ramachandran Statistics (%)
Favored 93.56 96.83 95.00
Allowed 4.92 3.17 4.35
Outliers 1.52 0.0 0.65

Values in parentheses refer to the highest resolution shell. * Friedel mates were averaged when calculating reflection statistics. ** Resolution [Å] at which I/σI ≥ 2.0

Ramachandran analyses were performed using MolProbity.