Table 1.
Space group | P21 | P1 |
---|---|---|
Unit-cell parameters (Å°) | a=54.33, b=37.40, c=65.48, α=90, β=98.57, γ=90 | a=35.20, b=62.42, c=66.05, α=72.39, β=74.57, γ=73.63 |
Resolution (Å) | 15.00–1.98 (2.01–1.98) | 48.68–2.63 (2.70–2.63) |
Completeness (%) | 99.5 (99.9) | 97.0 (94.3) |
Redundancy | 3.4 (3.4) | 4.7 (4.4) |
<I/σ(I)> | 19.1 (2.0) | 14.2 (3.4) |
Rmerge† | 0.049 (0.58) | 0.088 (0.373) |
Reflections in working set | 17316 (1142) | 13737 (676) |
Reflections in test set | 887 (58) | 732 (56) |
Rwork/Rfree | 0.218/0.247 | 0.235/0.275 |
Contents of asymmetric unit | 1 Protein:DNA complex | 2 Protein:DNA complexes |
Number of atoms | ||
Protein | 756 | 1512 |
DNA | 814 | 1628 |
Ligand/ion | 7 | 14 |
Water | 93 | 0 |
B factors (Å2) | ||
Protein | 53 | 62 |
DNA | 60 | 69 |
Ligand/ion | 62 | 67 |
Water | 34 | N/A |
R.m.s.d bond lengths (Å) | 0.005 | 0.004 |
R.m.s.d bond angles (°) | 1.08 | 0.92 |
Ramachandran plot | ||
Favored (%) | 96.7 | 97.3 |
Disallowed (%) | 0.0 | 0.0 |
Refinement program | REFMAC5 | REFMAC5 |
PDB code | 3VD6 | 3VEK |
Values in parentheses are for highest-resolution shell.
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