Table 2 Data collection and refinement statistics for importin α3 structures
From: Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses
Impα3a | NiV W Impα3a | HeV W Impα3a crystal form 1 | HeV W Impα3a crystal form 2 | HeV W Impα3a crystal form 3 | |
|---|---|---|---|---|---|
Data collection | |||||
Wavelength (Å) | 0.9537 | 0.9537 | 0.9537 | 0.9537 | 0.9537 |
Space group | P 1 21 1 | P 1 21 1 | P 1 21 1 | P 1 21 1 | P 21 21 21 |
Cell dimensions | |||||
a, b, c (Å) | 47.1, 53.2, 91.3 | 47.7, 65.6, 73.9 | 47.4, 65.7, 74.2 | 48.1, 60.0, 89.9 | 48.2, 59.0, 169.3 |
α, β, γ (°) | 90, 92.87, 90 | 90, 99.79, 90 | 90, 99.76, 90 | 90, 97.85, 90 | 90, 90, 90 |
Resolution (Å) | 19.81–2.30 (2.38–2.30)a | 38.21–2.30 (2.38–2.30) | 19.84–1.6 (1.63–1.60) | 19.95–2.20 (2.27–2.20) | 29.49–2.30 (2.38–2.30) |
Rpim | 0.086 (0.304) | 0.087 (0.274) | 0.061 (0.174) | 0.081 (0.369) | 0.032 (0.077) |
Mean I/σ (I) | 11.3 (1.8) | 8.6 (3.5) | 7.1 (3.3) | 9.6 (3.7) | 17.1 (8.8) |
CC1/2 | 0.977 (0.785) | 0.781 (0.817) | 0.989 (0.899) | 0.974 (0.446) | 0.997 (0.973) |
Total reflections | 105,917 (11,952) | 46,617 (4355) | 254,011 (12,863) | 90,676 (7765) | 286,394 (27,948) |
Unique reflections | 19,290 (1942) | 19,881 (1953) | 58,984 (2917) | 25,833 (2232) | 22,252 (2139) |
Completeness (%) | 95 (98.2) | 98.9 (99.2) | 99.4 (99.6) | 99.6 (99.8) | 100 (100) |
Redundancy | 5.5 (6.2) | 2.3 (2.2) | 4.3 (4.4) | 3.5 (3.5) | 12.9 (13.1) |
Wilson B-factor | 37.1 | 20.4 | 10.7 | 15.5 | 15.1 |
Refinement | |||||
Resolution (Å) | 19.48–2.30 | 36.75–2.30 | 19.58–1.60 | 19.95–2.20 | 29.36–2.30 |
Reflections used in | |||||
Refinement | 19,147 (1978) | 19,788 (1980) | 58,886 (5838) | 25,804 (2546) | 22,192 (2161) |
Rfree | 937 (91) | 989 (94) | 2894 (275) | 1227 (115) | 1119 (123) |
Rwork | 0.2500 (0.2662) | 0.1991 (0.2177) | 0.1711 (0.1978) | 0.1859 (0.2606) | 0.1771 (0.1929) |
Rfree | 0.2684 (0.3212) | 0.2223 (0.2917) | 0.1962 (0.2421) | 0.2148 (0.2946) | 0.2182 (0.2578) |
Number of non-hydrogen atoms | 3210 | 3592 | 3738 | 3678 | 3624 |
Macromolecules | 3206 | 3400 | 3400 | 3419 | 3419 |
Protein residues | 415 | 440 | 440 | 442 | 442 |
B factors | 55.53 | 30.56 | 18.57 | 30.72 | 27.54 |
Protein | 55.56 | 30.59 | 17.77 | 30.47 | 27.46 |
Water | 35.29 | 30.04 | 26.57 | 33.99 | 28.91 |
R.M.S. deviations | |||||
Bond lengths (Å) | 0.005 | 0.006 | 0.015 | 0.003 | 0.006 |
Bond angles (°) | 1.03 | 0.75 | 1.21 | 0.54 | 0.71 |
Ramachandran plot (%) | |||||
Favoured | 99 | 98 | 99 | 98 | 98 |
Allowed | 1.2 | 2.1 | 1.4 | 2.3 | 2.1 |
Outliers | 0 | 0 | 0 | 0 | 0 |
Rotamer outliers (%) | 0.83 | 0.26 | 0.52 | 0.52 | 0.52 |
Clash score | 3.57 | 1.03 | 1.76 | 0.87 | 1.89 |
