Table 1.
DH1 HA-6’SLN | DH1D HA-6’SLN | DH1E HA-6’SLN | DH1E HA-3’SLN | |
---|---|---|---|---|
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Data collection statistics | ||||
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Wavelength (Å) | 0.97872 | 0.97856 | 0.97856 | 0.97856 |
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Resolution range (Å) | 48.74~2.15 (2.27~2.15) | 54.47~2.35 (2.48~2.35) | 45.69~2.45 (2.58~2.45) | 55.38~2.95 (3.11~2.95) |
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Space group | P 1 21 1 | P 1 21 1 | P 1 21 1 | P 1 21 1 |
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Unit cell | ||||
a, b, c (Å) | 95.68, 81.82, 121.46 | 95.75, 80.26, 121.23 | 95.38, 81.37, 120.96 | 95.94, 81.05, 120.95 |
α, β, γ (°) | 90, 90.79, 90 | 90, 91.35, 90 | 90, 95.45, 90 | 90, 91.13, 90 |
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Total reflections | 436,178 (63,284) | 337,887 (48,689) | 302,929 (44,056) | 142,031 (20,833) |
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Unique reflections | 102,164 (14,841) | 76,785 (11,130) | 68,049 (9,868) | 39,403 (5,731) |
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Multiplicity | 4.3 (4.3) | 4.4 (4.4) | 4.5 (4.5) | 3.6 (3.6) |
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Completeness (%) | 100.0 (100.0) | 100.0 (99.9) | 100.0 (100.0) | 100.0 (100.0) |
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Mean I/sigma(I) | 9.4 (2.6) | 9.1 (2.6) | 10.3 (2.5) | 6.9 (2.0) |
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Wilson B-factor (Å2) | 25.0 | 31.3 | 36.5 | 50.6 |
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Rmerge | 0.139 (0.515) | 0.138 (0.510) | 0.142 (0.573) | 0.212 (0.679) |
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Refinement statistics | ||||
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Rwork | 0.182 (0.220) | 0.199 (0.226) | 0.199 (0.244) | 0.213 (0.285) |
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Rfree | 0.208 (0.263) | 0.236 (0.262) | 0.228 (0.270) | 0.250 (0.340) |
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Number of non-hydrogen atoms | 13,012 | 12,566 | 12,382 | 11,594 |
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Macromolecules | 11,403 | 11,402 | 11,393 | 11,393 |
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Ligands | 260 | 246 | 216 | 201 |
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Water | 1,349 | 918 | 773 | — |
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Protein residues | 1,472 | 1,472 | 1,470 | 1,469 |
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RMS | ||||
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Bonds (Å) | 0.006 | 0.005 | 0.007 | 0.005 |
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Angles (°) | 1.20 | 1.15 | 1.24 | 1.17 |
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Ramachandran | ||||
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Favored (%) | 98.13 | 97.99 | 98.54 | 98.41 |
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Allowed (%) | 1.87 | 1.94 | 1.39 | 1.59 |
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Outliers (%) | 0.00 | 0.07 | 0.07 | 0.00 |
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Clashscore | 2.81 | 3.52 | 3.04 | 2.56 |
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Average B-factor (Å2) | 33.00 | 36.79 | 35.85 | 38.61 |
| ||||
Macromolecules | 32.21 | 36.73 | 35.65 | 38.46 |
Ligands | 42.65 | 46.31 | 47.87 | 46.73 |
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Water | 37.89 | 35.02 | 35.41 | — |
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PDB accession code | 5VMC | 5VMF | 5VMG | 5VMJ |
Statistics for the highest-resolution shell are shown in parentheses.