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.